Two fluoradene derivatives: pseudosymmetry, eccentric ellipsoids and a phase transition

Structures of two derivatives of the curved fluoradene ring system (C₁₉H₁₂) have been determined. Both have phases that are highly pseudosymmetric. At room temperature crystals of 7b-triisopropylsilylfluoradene (C₂₈H₃₂Si) have a cell that contains two independent molecules (Z' = 2) and that is almost centered. Crystals of 7b-(2,4-dinitrophenyl)fluoradene (C₂₅H₁₄N₂O₄) have both a P2₁/c cell with Z' = 1 and a P2₁/c cell with Z' = 2. The molecular volumes in these two P2₁/c structures differ by 0.7%, but the structures are otherwise virtually the same; the two independent molecules in the larger cell are related by a pseudotranslation. Some of the atomic ellipsoids in the P2₁/c, Z' = 1 structure are very large and eccentric, and there are some hints in the diffraction pattern of an incipient phase transition, but the Z' = 1 and Z' = 2 phases are clearly different. The P2₁/c, Z' = 2 crystal at 295 K probably contains some volume fraction of the Z' = 1 phase; when the temperature is lowered to 273 K this fraction is decreased markedly. The pronounced pseudosymmetry in the P and P2₁/c structures that have Z' = 2 has been investigated by analysing the atomic coordinates, by performing refinements in the smaller pseudocells and by making separate Wilson plots for the classes of reflections which are systematically strong and systematically weak. All three approaches are informative, but they reveal different information. Least-squares fits of coordinates of corresponding atoms measure the similarity of the molecular conformations. The Wilson plots allow a quantitative comparison of the intensities of the strong and weak reflections and thus an assessment of the deviations of the true structure from the smaller pseudocell structure. Comparison of the atomic displacements obtained in the full and pseudocell refinements shows where the structural distortions are largest and provides an indication of their directions."

Computing details

For all compounds, data collection: COLLECT software (Nonius, 1998); cell refinement: DENZO-SMN (Otwinowski & Minor, 1997); data reduction: SCALEPACK (Otwinowski & Minor, 1997). Program(s) used to solve structure: SHELXS97 (Sheldrick, 1990) in maXus (Mackay, Gilmore, Edwards, Tremayne, Stewart & Shankland, 1998) for Fldnb, Fltips; SIR92 (Altomare, Cascarano, Giacovazzo, Guagliardi, Burla, Polidori & Camalli, 1994) in maXus (Mackay, Gilmore, Edwards, Tremayne, Stewart & Shankland, 1998) for Fldnb2a; From structure determined at 295 K. for Fldnb2b, Fldnb2c; Starting model from full structure (a=15.444; two independent molecules in the asymmetric unit) for PseuFlda; Starting model from full structure (P1-bar rather than B1-bar; two independent molecules in the asymmetric unit) for PseuTips. For all compounds, program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL PC (Sheldrick, 1990).

Figures

(Fldnb) 7 - b-(2,4-dinitrophenyl)fluoradene

Crystal data

C25H14N2O4	Dx = 1.393 Mg m^−3
Mr = 406.38	Melting point: 240 C K
Monoclinic, P121/c1	Mo Kα radiation, λ = 0.71073 Å
a = 7.758 (1) Å	Cell parameters from 19567 reflections
b = 15.550 (2) Å	θ = 2.8–27.8°
c = 17.179 (2) Å	µ = 0.10 mm^−1
β = 110.72 (1)°	T = 293 K
V = 1938.4 (4) Å^3	Prism, dark orange
Z = 4	0.27 × 0.27 × 0.21 mm
F(000) = 840

Data collection

Nonius KappaCCD diffractometer	2584 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.021
Graphite monochromator	θmax = 25.0°, θmin = 2.9°
Detector resolution: 18 pixels mm^-1	h = −9→0
ϕ and ω scans with 1.0° steps	k = −18→18
6214 measured reflections	l = −19→20
3403 independent reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.066	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.167	H-atom parameters constrained
S = 1.06	w = 1/[σ^2(Fo^2) + (0.062P)^2 + 1.2P] where P = (Fo^2 + 2Fc^2)/3
3403 reflections	(Δ/σ)max < 0.001
280 parameters	Δρmax = 0.22 e Å^−3
0 restraints	Δρmin = −0.23 e Å^−3

Special details

Experimental. The crystal-to-detector distance was 30 mm. Each frame was measured for 120 s. The number of scan sets measured was 2; the total number of frames measured was 355.

Geometry. The displacement ellipsoids for some of the atoms in the fluoradene ligand are both large and eccentric. Distances and angles in this part of the molecule are inaccurate.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
O01	0.9147 (3)	0.12650 (17)	0.28536 (19)	0.1160 (11)
O02	0.8730 (3)	0.21699 (17)	0.18757 (15)	0.0884 (7)
O03	0.1991 (3)	−0.03896 (13)	0.00682 (13)	0.0740 (6)
O04	0.4847 (3)	−0.07633 (12)	0.05596 (13)	0.0696 (6)
N01	0.8170 (3)	0.16511 (15)	0.22530 (16)	0.0607 (6)
N02	0.3576 (3)	−0.02881 (13)	0.05350 (13)	0.0523 (5)
C01	0.7088 (5)	0.3081 (2)	0.2956 (3)	0.0833 (11)
C02	0.7259 (7)	0.3817 (3)	0.2533 (3)	0.1184 (19)
C03	0.9022 (10)	0.4214 (4)	0.2860 (6)	0.191 (4)
H03	0.9320	0.4688	0.2603	0.229*
C04	1.0299 (12)	0.3856 (8)	0.3593 (9)	0.255 (8)
H04	1.1502	0.4062	0.3768	0.305*
C05	0.9920 (7)	0.3251 (5)	0.4051 (5)	0.188 (4)
H05	1.0777	0.3096	0.4565	0.226*
C06	0.8200 (5)	0.2854 (3)	0.3740 (3)	0.1111 (16)
C07	0.6987 (5)	0.2393 (2)	0.4107 (2)	0.0915 (12)
C08	0.7322 (10)	0.2108 (4)	0.4878 (3)	0.151 (3)
H08	0.8519	0.2112	0.5263	0.181*
C09	0.5926 (13)	0.1812 (4)	0.5101 (3)	0.158 (3)
H09	0.6177	0.1625	0.5644	0.189*
C10	0.4122 (9)	0.1782 (3)	0.4539 (3)	0.1262 (18)
H10	0.3188	0.1563	0.4704	0.151*
C11	0.3716 (5)	0.20824 (19)	0.3724 (2)	0.0751 (9)
H11	0.2522	0.2071	0.3337	0.090*
C12	0.5146 (4)	0.23910 (17)	0.35241 (16)	0.0574 (7)
C13	0.5190 (3)	0.27172 (16)	0.26864 (16)	0.0530 (7)
C14	0.4156 (5)	0.34931 (17)	0.21771 (19)	0.0669 (8)
C15	0.2288 (6)	0.3663 (2)	0.1834 (2)	0.0873 (11)
H15	0.1438	0.3294	0.1927	0.105*
C16	0.1702 (9)	0.4398 (3)	0.1347 (3)	0.136 (2)
H16	0.0451	0.4521	0.1109	0.163*
C17	0.2972 (15)	0.4940 (4)	0.1217 (4)	0.188 (4)
H17	0.2560	0.5435	0.0902	0.226*
C18	0.4788 (13)	0.4778 (3)	0.1530 (5)	0.170 (4)
H18	0.5618	0.5139	0.1411	0.204*
C19	0.5407 (8)	0.4062 (2)	0.2035 (3)	0.1068 (15)
C20	0.4841 (3)	0.19233 (15)	0.21065 (14)	0.0456 (6)
C21	0.6181 (3)	0.14429 (15)	0.19360 (15)	0.0460 (6)
C22	0.5795 (3)	0.07142 (16)	0.14446 (15)	0.0500 (6)
H22	0.6733	0.0400	0.1360	0.060*
C23	0.3991 (3)	0.04663 (15)	0.10857 (14)	0.0446 (6)
C24	0.2594 (3)	0.09150 (16)	0.12140 (15)	0.0507 (6)
H24	0.1374	0.0744	0.0961	0.061*
C25	0.3042 (3)	0.16266 (16)	0.17279 (16)	0.0515 (6)
H25	0.2097	0.1922	0.1826	0.062*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
O01	0.0665 (15)	0.0940 (18)	0.139 (2)	−0.0110 (13)	−0.0230 (15)	0.0227 (18)
O02	0.0684 (14)	0.1146 (19)	0.0918 (16)	−0.0349 (13)	0.0401 (12)	−0.0126 (14)
O03	0.0609 (13)	0.0737 (13)	0.0754 (13)	−0.0179 (10)	0.0093 (10)	−0.0253 (11)
O04	0.0734 (13)	0.0492 (11)	0.0827 (14)	0.0016 (10)	0.0233 (11)	−0.0157 (10)
N01	0.0474 (13)	0.0579 (14)	0.0734 (16)	−0.0073 (11)	0.0171 (12)	−0.0172 (12)
N02	0.0559 (14)	0.0455 (12)	0.0535 (12)	−0.0105 (10)	0.0169 (11)	−0.0053 (10)
C01	0.066 (2)	0.089 (2)	0.110 (3)	−0.0269 (18)	0.051 (2)	−0.060 (2)
C02	0.149 (4)	0.077 (2)	0.193 (5)	−0.066 (3)	0.139 (4)	−0.078 (3)
C03	0.197 (7)	0.125 (5)	0.355 (11)	−0.110 (5)	0.226 (8)	−0.150 (6)
C04	0.115 (6)	0.273 (13)	0.416 (17)	−0.099 (7)	0.144 (8)	−0.281 (14)
C05	0.065 (3)	0.237 (9)	0.253 (9)	−0.033 (4)	0.045 (4)	−0.197 (8)
C06	0.059 (2)	0.142 (4)	0.127 (3)	−0.013 (2)	0.026 (2)	−0.093 (3)
C07	0.097 (3)	0.096 (3)	0.059 (2)	0.033 (2)	−0.0004 (18)	−0.0336 (19)
C08	0.203 (7)	0.144 (5)	0.068 (3)	0.078 (5)	0.003 (3)	−0.027 (3)
C09	0.291 (10)	0.116 (4)	0.050 (3)	0.056 (5)	0.042 (4)	0.010 (3)
C10	0.230 (6)	0.082 (3)	0.102 (3)	−0.004 (3)	0.104 (4)	0.000 (3)
C11	0.108 (3)	0.0609 (18)	0.073 (2)	−0.0033 (17)	0.0517 (19)	−0.0047 (15)
C12	0.0629 (17)	0.0543 (15)	0.0542 (15)	0.0063 (13)	0.0199 (13)	−0.0119 (12)
C13	0.0488 (14)	0.0528 (15)	0.0642 (16)	−0.0135 (12)	0.0285 (12)	−0.0190 (13)
C14	0.103 (2)	0.0448 (15)	0.0692 (18)	−0.0104 (15)	0.0501 (18)	−0.0139 (13)
C15	0.120 (3)	0.0538 (18)	0.080 (2)	0.0161 (19)	0.025 (2)	−0.0027 (17)
C16	0.216 (6)	0.076 (3)	0.099 (3)	0.056 (3)	0.036 (3)	0.008 (2)
C17	0.413 (14)	0.060 (3)	0.157 (6)	0.047 (6)	0.180 (9)	0.021 (3)
C18	0.350 (11)	0.049 (3)	0.216 (7)	−0.012 (4)	0.230 (8)	−0.005 (3)
C19	0.180 (5)	0.053 (2)	0.146 (4)	−0.029 (2)	0.129 (4)	−0.030 (2)
C20	0.0441 (13)	0.0466 (13)	0.0487 (13)	−0.0054 (10)	0.0195 (11)	−0.0043 (11)
C21	0.0384 (12)	0.0483 (13)	0.0501 (13)	−0.0087 (10)	0.0141 (10)	−0.0079 (11)
C22	0.0449 (14)	0.0490 (14)	0.0568 (15)	0.0003 (11)	0.0191 (11)	−0.0087 (12)
C23	0.0478 (14)	0.0410 (12)	0.0426 (12)	−0.0074 (10)	0.0130 (10)	−0.0037 (10)
C24	0.0413 (13)	0.0534 (14)	0.0555 (14)	−0.0091 (11)	0.0147 (11)	−0.0035 (12)
C25	0.0423 (13)	0.0538 (15)	0.0615 (15)	−0.0032 (11)	0.0224 (12)	−0.0100 (12)

Geometric parameters (Å, º)

O01—N01	1.203 (3)	C14—C19	1.397 (5)
O02—N01	1.208 (3)	C15—C16	1.394 (5)
O03—N02	1.218 (3)	C16—C17	1.373 (9)
O04—N02	1.221 (3)	C17—C18	1.343 (11)
N01—C21	1.479 (3)	C18—C19	1.388 (8)
N02—C23	1.470 (3)	C20—C21	1.392 (3)
C01—C02	1.388 (6)	C20—C25	1.393 (3)
C01—C06	1.364 (6)	C21—C22	1.381 (3)
C01—C13	1.490 (4)	C22—C23	1.369 (3)
C02—C03	1.422 (7)	C23—C24	1.371 (3)
C02—C19	1.439 (7)	C24—C25	1.381 (3)
C03—C04	1.412 (15)	C03—H03	0.9300
C04—C05	1.325 (16)	C04—H04	0.9300
C05—C06	1.394 (6)	C05—H05	0.9300
C06—C07	1.488 (6)	C08—H08	0.9300
C07—C08	1.333 (7)	C09—H09	0.9300
C07—C12	1.425 (4)	C10—H10	0.9300
C08—C09	1.351 (9)	C11—H11	0.9300
C09—C10	1.392 (8)	C15—H15	0.9300
C10—C11	1.403 (5)	C16—H16	0.9300
C11—C12	1.359 (4)	C17—H17	0.9300
C12—C13	1.537 (4)	C18—H18	0.9300
C13—C14	1.539 (4)	C22—H22	0.9300
C13—C20	1.549 (3)	C24—H24	0.9300
C14—C15	1.383 (5)	C25—H25	0.9300
O01—N01—O02	123.8 (3)	C02—C19—C18	129.4 (5)
O01—N01—C21	117.7 (3)	C14—C19—C18	120.6 (6)
O02—N01—C21	118.4 (2)	C13—C20—C21	126.1 (2)
O03—N02—O04	124.0 (2)	C13—C20—C25	118.8 (2)
O03—N02—C23	117.9 (2)	C21—C20—C25	115.0 (2)
O04—N02—C23	118.1 (2)	N01—C21—C20	124.3 (2)
C02—C01—C06	125.9 (4)	N01—C21—C22	112.1 (2)
C02—C01—C13	114.7 (4)	C20—C21—C22	123.5 (2)
C06—C01—C13	114.7 (4)	C21—C22—C23	118.2 (2)
C01—C02—C03	114.0 (6)	N02—C23—C22	118.1 (2)
C01—C02—C19	105.6 (3)	N02—C23—C24	120.3 (2)
C03—C02—C19	137.6 (5)	C22—C23—C24	121.6 (2)
C02—C03—C04	117.1 (7)	C23—C24—C25	118.4 (2)
C03—C04—C05	125.2 (8)	C20—C25—C24	123.2 (2)
C04—C05—C06	118.1 (9)	C02—C03—H03	121.5
C01—C06—C05	116.7 (6)	C04—C03—H03	121.5
C01—C06—C07	105.6 (3)	C03—C04—H04	117.4
C05—C06—C07	135.6 (6)	C05—C04—H04	117.4
C06—C07—C08	130.6 (5)	C04—C05—H05	121.0
C06—C07—C12	109.3 (3)	C06—C05—H05	121.0
C08—C07—C12	119.5 (5)	C07—C08—H08	120.0
C07—C08—C09	120.1 (6)	C09—C08—H08	120.0
C08—C09—C10	121.7 (5)	C08—C09—H09	119.1
C09—C10—C11	119.7 (5)	C10—C09—H09	119.1
C10—C11—C12	117.1 (4)	C09—C10—H10	120.1
C07—C12—C11	121.9 (3)	C11—C10—H10	120.1
C07—C12—C13	107.9 (3)	C10—C11—H11	121.5
C11—C12—C13	130.0 (3)	C12—C11—H11	121.5
C01—C13—C12	100.4 (2)	C14—C15—H15	120.6
C01—C13—C14	97.9 (3)	C16—C15—H15	120.6
C01—C13—C20	115.5 (2)	C15—C16—H16	120.0
C12—C13—C14	127.7 (2)	C17—C16—H16	120.0
C12—C13—C20	106.4 (2)	C16—C17—H17	118.9
C14—C13—C20	108.8 (2)	C18—C17—H17	118.9
C13—C14—C15	130.4 (3)	C17—C18—H18	120.6
C13—C14—C19	109.9 (3)	C19—C18—H18	120.6
C15—C14—C19	119.5 (4)	C21—C22—H22	120.9
C14—C15—C16	118.8 (4)	C23—C22—H22	120.9
C15—C16—C17	120.0 (6)	C23—C24—H24	120.8
C16—C17—C18	122.1 (6)	C25—C24—H24	120.8
C17—C18—C19	118.9 (6)	C20—C25—H25	118.4
C02—C19—C14	109.8 (4)	C24—C25—H25	118.4
C20—C21—N01—O01	99.1 (3)	C24—C23—N02—O03	15.4 (3)
C22—C21—N01—O01	−81.2 (3)	C22—C23—N02—O04	15.4 (3)
C20—C21—N01—O02	−84.0 (3)	C24—C23—N02—O04	−166.2 (2)
C22—C21—N01—O02	95.8 (3)	C21—C20—C13—C01	11.7 (4)
C22—C23—N02—O03	−163.0 (2)	C25—C20—C13—C01	−170.4 (3)

(Fldnb2a) 7 b-(2,4-dinitrophenyl)fluoradene

Crystal data

C25H14N2O4	Dx = 1.402 Mg m^−3
Mr = 406.38	Melting point: 240 C K
Monoclinic, P121/c1	Mo Kα radiation, λ = 0.71073 Å
a = 15.444 (3) Å	Cell parameters from 18571 reflections
b = 15.513 (4) Å	θ = 1.0–25.0°
c = 17.111 (4) Å	µ = 0.10 mm^−1
β = 110.04 (1)°	T = 295 K
V = 3851.3 (15) Å^3	Prism. Major faces are {011} and {010}., dark orange
Z = 8	0.50 × 0.20 × 0.20 mm
F(000) = 1680

Data collection

Nonius KappaCCD diffractometer	4236 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.031
Graphite monochromator	θmax = 25.0°, θmin = 1.9°
Detector resolution: 18 pixels mm^-1	h = −18→18
ϕ and ω scans with 2.0° steps	k = −18→16
12155 measured reflections	l = −20→20
6757 independent reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.076	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.191	H-atom parameters constrained
S = 1.06	w = 1/[σ^2(Fo^2) + (0.074P)^2 + 2.P] where P = (Fo^2 + 2Fc^2)/3
6757 reflections	(Δ/σ)max = 0.001
559 parameters	Δρmax = 0.32 e Å^−3
0 restraints	Δρmin = −0.20 e Å^−3

Special details

Experimental. The crystal-to-detector distance was 36 mm. Each frame was measured for 120 s. The number of scan sets measured was 3; the total number of frames measured was 130.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
O01A	0.46216 (16)	0.12152 (19)	0.2754 (2)	0.1028 (11)
O02A	0.43284 (15)	0.22242 (18)	0.18622 (15)	0.0714 (7)
O03A	0.09854 (14)	−0.03613 (15)	0.00431 (14)	0.0613 (6)
O04A	0.24077 (15)	−0.07605 (14)	0.05236 (14)	0.0553 (6)
N01A	0.40938 (16)	0.16454 (18)	0.22171 (18)	0.0474 (7)
N02A	0.17806 (17)	−0.02773 (16)	0.05097 (15)	0.0422 (6)
C01A	0.3605 (2)	0.2960 (2)	0.3111 (2)	0.0571 (10)
C02A	0.3817 (3)	0.3692 (3)	0.2779 (3)	0.0749 (12)
C03A	0.4698 (4)	0.4053 (4)	0.3161 (4)	0.112 (2)
H03A	0.4901	0.4533	0.2948	0.134*
C04A	0.5244 (4)	0.3635 (5)	0.3883 (6)	0.144 (4)
H04A	0.5857	0.3804	0.4112	0.173*
C05A	0.4949 (3)	0.2996 (4)	0.4282 (4)	0.119 (2)
H05A	0.5331	0.2787	0.4793	0.143*
C06A	0.4056 (2)	0.2663 (3)	0.3901 (3)	0.0745 (12)
C07A	0.3348 (2)	0.2256 (2)	0.4171 (2)	0.0632 (10)
C08A	0.3396 (4)	0.1937 (3)	0.4948 (3)	0.0982 (17)
H08A	0.3957	0.1881	0.5379	0.118*
C09A	0.2586 (5)	0.1711 (3)	0.5053 (3)	0.114 (2)
H09A	0.2605	0.1501	0.5568	0.136*
C10A	0.1766 (4)	0.1780 (3)	0.4443 (3)	0.0928 (14)
H10A	0.1233	0.1618	0.4541	0.111*
C11A	0.1708 (2)	0.2088 (2)	0.3674 (2)	0.0558 (9)
H11A	0.1139	0.2125	0.3250	0.067*
C12A	0.24891 (19)	0.23399 (19)	0.35329 (17)	0.0416 (7)
C13A	0.26195 (18)	0.26761 (18)	0.27326 (17)	0.0394 (7)
C14A	0.2202 (2)	0.3491 (2)	0.22451 (19)	0.0474 (8)
C15A	0.1296 (3)	0.3708 (2)	0.1838 (2)	0.0647 (10)
H15A	0.0822	0.3353	0.1867	0.078*
C16A	0.1098 (4)	0.4485 (3)	0.1373 (3)	0.0947 (15)
H16A	0.0491	0.4649	0.1094	0.114*
C17A	0.1819 (5)	0.4996 (3)	0.1340 (3)	0.111 (2)
H17A	0.1689	0.5500	0.1026	0.133*
C18A	0.2719 (5)	0.4779 (3)	0.1756 (3)	0.1027 (18)
H18A	0.3188	0.5142	0.1731	0.123*
C19A	0.2936 (3)	0.4031 (2)	0.2209 (2)	0.0671 (11)
C20A	0.24410 (17)	0.19055 (18)	0.21259 (16)	0.0349 (7)
C21A	0.31039 (16)	0.14229 (18)	0.19344 (16)	0.0338 (7)
C22A	0.29018 (17)	0.07039 (18)	0.14346 (16)	0.0359 (7)
H22A	0.3368	0.0386	0.1342	0.043*
C23A	0.19970 (17)	0.04676 (17)	0.10768 (16)	0.0342 (7)
C24A	0.13046 (18)	0.09200 (19)	0.12230 (17)	0.0399 (7)
H24A	0.0692	0.0758	0.0971	0.048*
C25A	0.15359 (17)	0.16178 (19)	0.17493 (17)	0.0405 (7)
H25A	0.1067	0.1913	0.1860	0.049*
O01B	0.95052 (15)	0.13121 (17)	0.29016 (18)	0.0822 (9)
O02B	0.93789 (14)	0.21413 (18)	0.18638 (14)	0.0709 (8)
O03B	0.60046 (14)	−0.04062 (14)	0.00757 (14)	0.0595 (6)
O04B	0.74365 (15)	−0.07731 (14)	0.05900 (14)	0.0565 (6)
N01B	0.90606 (16)	0.16666 (17)	0.22590 (17)	0.0447 (6)
N02B	0.67941 (17)	−0.02955 (16)	0.05483 (14)	0.0413 (6)
C01B	0.8465 (2)	0.3178 (2)	0.2830 (2)	0.0488 (8)
C02B	0.8486 (2)	0.3896 (2)	0.2365 (2)	0.0599 (10)
C03B	0.9335 (3)	0.4335 (3)	0.2605 (3)	0.0896 (15)
H03B	0.9432	0.4794	0.2296	0.107*
C04B	1.0014 (3)	0.4056 (3)	0.3315 (4)	0.0943 (17)
H04B	1.0594	0.4304	0.3439	0.113*
C05B	0.9913 (2)	0.3441 (3)	0.3861 (3)	0.0817 (13)
H05B	1.0376	0.3326	0.4365	0.098*
C06B	0.9063 (2)	0.2997 (2)	0.3610 (2)	0.0604 (10)
C07B	0.8527 (2)	0.2509 (2)	0.4038 (2)	0.0563 (9)
C08B	0.8762 (3)	0.2222 (3)	0.4835 (2)	0.0794 (12)
H08B	0.9368	0.2258	0.5196	0.095*
C09B	0.8085 (4)	0.1876 (3)	0.5100 (2)	0.0838 (13)
H09B	0.8243	0.1684	0.5646	0.101*
C10B	0.7188 (3)	0.1810 (3)	0.4580 (2)	0.0734 (11)
H10B	0.6747	0.1573	0.4775	0.088*
C11B	0.6934 (2)	0.2096 (2)	0.3760 (2)	0.0521 (8)
H11B	0.6329	0.2045	0.3400	0.062*
C12B	0.75959 (19)	0.24513 (19)	0.34982 (17)	0.0415 (7)
C13B	0.75376 (18)	0.27691 (18)	0.26266 (17)	0.0379 (7)
C14B	0.6951 (2)	0.35206 (19)	0.21115 (19)	0.0447 (8)
C15B	0.6014 (2)	0.3657 (2)	0.1837 (2)	0.0565 (9)
H15B	0.5630	0.3282	0.1990	0.068*
C16B	0.5647 (3)	0.4360 (3)	0.1329 (3)	0.0795 (12)
H16B	0.5015	0.4459	0.1148	0.095*
C17B	0.6203 (4)	0.4903 (3)	0.1094 (3)	0.0914 (14)
H17B	0.5940	0.5359	0.0739	0.110*
C18B	0.7141 (3)	0.4797 (2)	0.1366 (3)	0.0782 (12)
H18B	0.7513	0.5181	0.1208	0.094*
C19B	0.7523 (2)	0.4101 (2)	0.1885 (2)	0.0569 (9)
C20B	0.73797 (17)	0.19592 (17)	0.20702 (16)	0.0334 (7)
C21B	0.80585 (16)	0.14682 (18)	0.19175 (16)	0.0337 (7)
C22B	0.78785 (18)	0.07284 (18)	0.14393 (17)	0.0390 (7)
H22B	0.8355	0.0413	0.1363	0.047*
C23B	0.69794 (17)	0.04709 (17)	0.10803 (16)	0.0335 (7)
C24B	0.62720 (18)	0.09246 (18)	0.11988 (17)	0.0382 (7)
H24B	0.5664	0.0749	0.0949	0.046*
C25B	0.64849 (17)	0.16477 (18)	0.16970 (17)	0.0383 (7)
H25B	0.6006	0.1944	0.1789	0.046*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
O01A	0.0440 (14)	0.086 (2)	0.140 (3)	−0.0030 (14)	−0.0186 (16)	0.024 (2)
O02A	0.0585 (15)	0.085 (2)	0.0806 (18)	−0.0305 (13)	0.0361 (13)	−0.0097 (15)
O03A	0.0474 (14)	0.0672 (16)	0.0596 (15)	−0.0153 (11)	0.0061 (12)	−0.0221 (12)
O04A	0.0573 (13)	0.0384 (13)	0.0691 (16)	0.0027 (11)	0.0203 (12)	−0.0114 (11)
N01A	0.0337 (14)	0.0470 (17)	0.0608 (18)	−0.0067 (13)	0.0155 (14)	−0.0139 (14)
N02A	0.0453 (15)	0.0402 (16)	0.0407 (15)	−0.0107 (13)	0.0143 (13)	−0.0033 (12)
C01A	0.0453 (19)	0.054 (2)	0.082 (3)	−0.0151 (17)	0.035 (2)	−0.033 (2)
C02A	0.071 (3)	0.072 (3)	0.105 (3)	−0.025 (2)	0.060 (2)	−0.050 (3)
C03A	0.085 (4)	0.098 (4)	0.187 (6)	−0.054 (3)	0.090 (4)	−0.098 (4)
C04A	0.068 (4)	0.142 (7)	0.239 (9)	−0.045 (4)	0.074 (5)	−0.142 (7)
C05A	0.046 (3)	0.140 (5)	0.139 (5)	0.016 (3)	−0.009 (3)	−0.100 (4)
C06A	0.045 (2)	0.087 (3)	0.070 (3)	0.013 (2)	−0.0063 (19)	−0.051 (2)
C07A	0.063 (2)	0.062 (2)	0.053 (2)	0.0202 (19)	0.0049 (19)	−0.0173 (19)
C08A	0.134 (4)	0.088 (4)	0.040 (3)	0.053 (3)	−0.011 (3)	−0.014 (2)
C09A	0.200 (6)	0.089 (4)	0.057 (3)	0.038 (4)	0.049 (4)	0.018 (3)
C10A	0.155 (5)	0.073 (3)	0.072 (3)	0.002 (3)	0.066 (3)	0.015 (3)
C11A	0.075 (2)	0.049 (2)	0.052 (2)	−0.0024 (17)	0.0318 (18)	−0.0009 (17)
C12A	0.0467 (17)	0.0391 (18)	0.0371 (17)	0.0072 (14)	0.0119 (14)	−0.0051 (14)
C13A	0.0343 (15)	0.0412 (18)	0.0452 (18)	−0.0058 (13)	0.0168 (13)	−0.0116 (15)
C14A	0.068 (2)	0.0379 (19)	0.0458 (19)	−0.0010 (16)	0.0314 (17)	−0.0047 (15)
C15A	0.093 (3)	0.047 (2)	0.052 (2)	0.014 (2)	0.023 (2)	0.0034 (18)
C16A	0.146 (4)	0.065 (3)	0.072 (3)	0.039 (3)	0.036 (3)	0.007 (2)
C17A	0.226 (7)	0.046 (3)	0.091 (4)	0.018 (4)	0.093 (4)	0.018 (3)
C18A	0.188 (6)	0.050 (3)	0.115 (4)	−0.016 (3)	0.111 (4)	−0.014 (3)
C19A	0.124 (4)	0.032 (2)	0.075 (3)	−0.020 (2)	0.072 (3)	−0.0186 (19)
C20A	0.0323 (15)	0.0369 (17)	0.0358 (16)	−0.0032 (12)	0.0120 (12)	−0.0009 (14)
C21A	0.0270 (14)	0.0389 (18)	0.0355 (16)	−0.0063 (12)	0.0108 (12)	−0.0021 (14)
C22A	0.0313 (15)	0.0369 (17)	0.0396 (17)	−0.0002 (12)	0.0124 (13)	−0.0056 (14)
C23A	0.0393 (16)	0.0331 (17)	0.0292 (16)	−0.0070 (13)	0.0102 (13)	−0.0032 (13)
C24A	0.0283 (14)	0.048 (2)	0.0415 (17)	−0.0080 (13)	0.0090 (13)	−0.0061 (15)
C25A	0.0292 (15)	0.0466 (19)	0.0470 (18)	−0.0025 (13)	0.0148 (13)	−0.0096 (16)
O01B	0.0495 (14)	0.0746 (19)	0.090 (2)	−0.0087 (12)	−0.0173 (14)	0.0170 (16)
O02B	0.0479 (14)	0.105 (2)	0.0671 (16)	−0.0248 (13)	0.0288 (12)	−0.0054 (15)
O03B	0.0499 (14)	0.0589 (16)	0.0607 (15)	−0.0185 (11)	0.0074 (12)	−0.0208 (12)
O04B	0.0612 (14)	0.0386 (13)	0.0686 (16)	0.0060 (11)	0.0207 (12)	−0.0127 (11)
N01B	0.0348 (14)	0.0437 (16)	0.0531 (18)	−0.0043 (12)	0.0120 (13)	−0.0151 (14)
N02B	0.0501 (16)	0.0353 (15)	0.0394 (15)	−0.0088 (13)	0.0165 (13)	−0.0025 (12)
C01B	0.0428 (17)	0.052 (2)	0.059 (2)	−0.0140 (15)	0.0266 (17)	−0.0277 (18)
C02B	0.074 (2)	0.041 (2)	0.085 (3)	−0.0260 (18)	0.054 (2)	−0.0272 (19)
C03B	0.092 (3)	0.071 (3)	0.136 (4)	−0.039 (3)	0.078 (3)	−0.043 (3)
C04B	0.063 (3)	0.096 (4)	0.137 (5)	−0.043 (3)	0.051 (3)	−0.072 (4)
C05B	0.055 (2)	0.090 (3)	0.103 (3)	−0.017 (2)	0.030 (2)	−0.055 (3)
C06B	0.0431 (19)	0.066 (2)	0.074 (3)	−0.0106 (17)	0.0224 (19)	−0.038 (2)
C07B	0.061 (2)	0.063 (2)	0.040 (2)	0.0051 (17)	0.0112 (17)	−0.0247 (17)
C08B	0.082 (3)	0.093 (3)	0.052 (3)	0.016 (2)	0.007 (2)	−0.020 (2)
C09B	0.126 (4)	0.083 (3)	0.042 (2)	0.011 (3)	0.028 (3)	0.002 (2)
C10B	0.102 (3)	0.066 (3)	0.067 (3)	0.001 (2)	0.048 (3)	−0.002 (2)
C11B	0.065 (2)	0.047 (2)	0.053 (2)	−0.0009 (16)	0.0323 (17)	−0.0048 (17)
C12B	0.0458 (17)	0.0390 (18)	0.0411 (18)	−0.0004 (14)	0.0165 (15)	−0.0124 (14)
C13B	0.0378 (16)	0.0336 (17)	0.0471 (18)	−0.0096 (13)	0.0208 (14)	−0.0124 (14)
C14B	0.061 (2)	0.0298 (17)	0.052 (2)	−0.0099 (15)	0.0308 (16)	−0.0131 (15)
C15B	0.059 (2)	0.038 (2)	0.073 (2)	0.0018 (16)	0.0231 (18)	−0.0020 (18)
C16B	0.086 (3)	0.048 (3)	0.096 (3)	0.012 (2)	0.020 (2)	0.003 (2)
C17B	0.131 (4)	0.054 (3)	0.091 (3)	0.010 (3)	0.041 (3)	0.010 (2)
C18B	0.126 (4)	0.041 (2)	0.091 (3)	−0.011 (2)	0.067 (3)	0.004 (2)
C19B	0.075 (2)	0.039 (2)	0.072 (2)	−0.0096 (17)	0.046 (2)	−0.0140 (19)
C20B	0.0317 (15)	0.0333 (17)	0.0371 (16)	−0.0028 (12)	0.0143 (12)	−0.0019 (13)
C21B	0.0282 (14)	0.0371 (17)	0.0339 (16)	−0.0059 (12)	0.0082 (12)	−0.0053 (14)
C22B	0.0349 (16)	0.0396 (18)	0.0438 (18)	0.0031 (13)	0.0151 (14)	−0.0036 (15)
C23B	0.0382 (16)	0.0283 (16)	0.0318 (16)	−0.0032 (12)	0.0091 (13)	−0.0008 (13)
C24B	0.0316 (15)	0.0398 (19)	0.0406 (17)	−0.0070 (13)	0.0091 (13)	−0.0012 (15)
C25B	0.0302 (15)	0.0382 (18)	0.0495 (18)	−0.0004 (13)	0.0174 (13)	−0.0040 (15)

Geometric parameters (Å, º)

O01A—N01A	1.200 (3)	C06B—C07B	1.485 (5)
O02A—N01A	1.207 (3)	C07B—C08B	1.361 (5)
O03A—N02A	1.221 (3)	C07B—C12B	1.421 (4)
O04A—N02A	1.219 (3)	C08B—C09B	1.381 (6)
O01B—N01B	1.211 (3)	C09B—C10B	1.370 (5)
O02B—N01B	1.212 (3)	C10B—C11B	1.393 (5)
O03B—N02B	1.222 (3)	C11B—C12B	1.365 (4)
O04B—N02B	1.221 (3)	C12B—C13B	1.544 (4)
N01A—C21A	1.478 (3)	C13B—C14B	1.552 (4)
N02A—C23A	1.472 (4)	C13B—C20B	1.544 (4)
N01B—C21B	1.487 (3)	C14B—C15B	1.376 (4)
N02B—C23B	1.465 (3)	C14B—C19B	1.406 (4)
C01A—C02A	1.358 (5)	C15B—C16B	1.388 (5)
C01A—C06A	1.372 (5)	C16B—C17B	1.359 (6)
C01A—C13A	1.501 (4)	C17B—C18B	1.371 (6)
C02A—C03A	1.409 (6)	C18B—C19B	1.395 (5)
C02A—C19A	1.473 (6)	C20B—C21B	1.391 (4)
C03A—C04A	1.394 (9)	C20B—C25B	1.395 (4)
C04A—C05A	1.366 (9)	C21B—C22B	1.381 (4)
C05A—C06A	1.407 (5)	C22B—C23B	1.371 (4)
C06A—C07A	1.466 (5)	C23B—C24B	1.372 (4)
C07A—C08A	1.398 (6)	C24B—C25B	1.379 (4)
C07A—C12A	1.406 (4)	C03A—H03A	0.93
C08A—C09A	1.369 (7)	C04A—H04A	0.93
C09A—C10A	1.341 (7)	C05A—H05A	0.93
C10A—C11A	1.374 (5)	C08A—H08A	0.93
C11A—C12A	1.365 (4)	C09A—H09A	0.93
C12A—C13A	1.542 (4)	C10A—H10A	0.93
C13A—C14A	1.530 (4)	C11A—H11A	0.93
C13A—C20A	1.545 (4)	C15A—H15A	0.93
C14A—C15A	1.374 (5)	C16A—H16A	0.93
C14A—C19A	1.429 (4)	C17A—H17A	0.93
C15A—C16A	1.418 (5)	C18A—H18A	0.93
C16A—C17A	1.384 (7)	C22A—H22A	0.93
C17A—C18A	1.368 (7)	C24A—H24A	0.93
C18A—C19A	1.372 (6)	C25A—H25A	0.93
C20A—C21A	1.395 (4)	C03B—H03B	0.93
C20A—C25A	1.397 (4)	C04B—H04B	0.93
C21A—C22A	1.375 (4)	C05B—H05B	0.93
C22A—C23A	1.370 (3)	C08B—H08B	0.93
C23A—C24A	1.372 (4)	C09B—H09B	0.93
C24A—C25A	1.375 (4)	C10B—H10B	0.93
C01B—C02B	1.376 (5)	C11B—H11B	0.93
C01B—C06B	1.366 (5)	C15B—H15B	0.93
C01B—C13B	1.495 (4)	C16B—H16B	0.93
C02B—C03B	1.407 (5)	C17B—H17B	0.93
C02B—C19B	1.467 (5)	C18B—H18B	0.93
C03B—C04B	1.375 (6)	C22B—H22B	0.93
C04B—C05B	1.382 (6)	C24B—H24B	0.93
C05B—C06B	1.413 (5)	C25B—H25B	0.93
O01A—N01A—O02A	123.8 (3)	C01B—C13B—C12B	100.2 (2)
O01A—N01A—C21A	118.4 (3)	C01B—C13B—C14B	98.0 (2)
O02A—N01A—C21A	117.7 (3)	C01B—C13B—C20B	115.2 (2)
O03A—N02A—O04A	124.2 (3)	C12B—C13B—C14B	128.1 (2)
O03A—N02A—C23A	117.7 (2)	C12B—C13B—C20B	106.3 (2)
O04A—N02A—C23A	118.1 (2)	C14B—C13B—C20B	108.8 (2)
C02A—C01A—C06A	125.4 (4)	C13B—C14B—C15B	130.6 (3)
C02A—C01A—C13A	114.8 (4)	C13B—C14B—C19B	109.7 (3)
C06A—C01A—C13A	115.0 (3)	C15B—C14B—C19B	119.6 (3)
C01A—C02A—C03A	118.1 (5)	C14B—C15B—C16B	119.4 (3)
C01A—C02A—C19A	106.0 (3)	C15B—C16B—C17B	120.6 (4)
C03A—C02A—C19A	133.7 (5)	C16B—C17B—C18B	121.8 (4)
C02A—C03A—C04A	114.9 (6)	C17B—C18B—C19B	118.4 (4)
C03A—C04A—C05A	125.2 (6)	C02B—C19B—C14B	108.7 (3)
C04A—C05A—C06A	118.5 (6)	C02B—C19B—C18B	130.6 (3)
C01A—C06A—C05A	114.8 (5)	C14B—C19B—C18B	120.2 (3)
C01A—C06A—C07A	105.9 (3)	C13B—C20B—C21B	126.2 (2)
C05A—C06A—C07A	137.0 (5)	C13B—C20B—C25B	119.1 (2)
C06A—C07A—C08A	130.5 (4)	C21B—C20B—C25B	114.6 (2)
C06A—C07A—C12A	108.9 (3)	N01B—C21B—C20B	124.2 (2)
C08A—C07A—C12A	120.0 (4)	N01B—C21B—C22B	112.1 (2)
C07A—C08A—C09A	117.6 (4)	C20B—C21B—C22B	123.7 (2)
C08A—C09A—C10A	122.5 (5)	C21B—C22B—C23B	118.3 (2)
C09A—C10A—C11A	120.6 (5)	N02B—C23B—C22B	117.8 (2)
C10A—C11A—C12A	119.8 (4)	N02B—C23B—C24B	120.8 (2)
C07A—C12A—C11A	119.5 (3)	C22B—C23B—C24B	121.3 (3)
C07A—C12A—C13A	110.2 (3)	C23B—C24B—C25B	118.4 (2)
C11A—C12A—C13A	130.2 (3)	C20B—C25B—C24B	123.6 (2)
C01A—C13A—C12A	98.0 (2)	C02A—C03A—H03A	122.6
C01A—C13A—C14A	99.7 (3)	C04A—C03A—H03A	122.6
C01A—C13A—C20A	115.9 (2)	C03A—C04A—H04A	117.4
C12A—C13A—C14A	127.2 (2)	C05A—C04A—H04A	117.4
C12A—C13A—C20A	106.7 (2)	C04A—C05A—H05A	120.8
C14A—C13A—C20A	109.2 (2)	C06A—C05A—H05A	120.8
C13A—C14A—C15A	130.1 (3)	C07A—C08A—H08A	121.2
C13A—C14A—C19A	108.4 (3)	C09A—C08A—H08A	121.2
C15A—C14A—C19A	121.3 (3)	C08A—C09A—H09A	118.7
C14A—C15A—C16A	118.6 (4)	C10A—C09A—H09A	118.7
C15A—C16A—C17A	119.3 (5)	C09A—C10A—H10A	119.7
C16A—C17A—C18A	121.7 (5)	C11A—C10A—H10A	119.7
C17A—C18A—C19A	120.7 (5)	C10A—C11A—H11A	120.1
C02A—C19A—C14A	109.2 (3)	C12A—C11A—H11A	120.1
C02A—C19A—C18A	131.9 (4)	C14A—C15A—H15A	120.7
C14A—C19A—C18A	118.5 (4)	C16A—C15A—H15A	120.7
C13A—C20A—C21A	126.6 (2)	C15A—C16A—H16A	120.4
C13A—C20A—C25A	118.5 (2)	C17A—C16A—H16A	120.4
C21A—C20A—C25A	114.8 (2)	C16A—C17A—H17A	119.2
N01A—C21A—C20A	123.9 (2)	C18A—C17A—H17A	119.2
N01A—C21A—C22A	112.5 (2)	C17A—C18A—H18A	119.7
C20A—C21A—C22A	123.6 (2)	C19A—C18A—H18A	119.7
C21A—C22A—C23A	118.3 (2)	C21A—C22A—H22A	120.8
N02A—C23A—C22A	118.1 (2)	C23A—C22A—H22A	120.8
N02A—C23A—C24A	120.5 (2)	C23A—C24A—H24A	120.7
C22A—C23A—C24A	121.4 (3)	C25A—C24A—H24A	120.7
C23A—C24A—C25A	118.6 (2)	C20A—C25A—H25A	118.4
C20A—C25A—C24A	123.2 (2)	C24A—C25A—H25A	118.4
O01B—N01B—O02B	124.8 (3)	C02B—C03B—H03B	121.4
O01B—N01B—C21B	116.9 (3)	C04B—C03B—H03B	121.4
O02B—N01B—C21B	118.2 (3)	C03B—C04B—H04B	117.1
O03B—N02B—O04B	124.1 (2)	C05B—C04B—H04B	117.1
O03B—N02B—C23B	117.6 (2)	C04B—C05B—H05B	122.0
O04B—N02B—C23B	118.3 (2)	C06B—C05B—H05B	122.0
C02B—C01B—C06B	126.2 (3)	C07B—C08B—H08B	120.5
C02B—C01B—C13B	114.8 (3)	C09B—C08B—H08B	120.5
C06B—C01B—C13B	114.4 (3)	C08B—C09B—H09B	119.1
C01B—C02B—C03B	115.3 (4)	C10B—C09B—H09B	119.1
C01B—C02B—C19B	106.2 (3)	C09B—C10B—H10B	119.9
C03B—C02B—C19B	136.3 (4)	C11B—C10B—H10B	119.9
C02B—C03B—C04B	117.3 (4)	C10B—C11B—H11B	120.8
C03B—C04B—C05B	125.8 (4)	C12B—C11B—H11B	120.8
C04B—C05B—C06B	116.1 (4)	C14B—C15B—H15B	120.3
C01B—C06B—C05B	116.3 (4)	C16B—C15B—H15B	120.3
C01B—C06B—C07B	106.4 (3)	C15B—C16B—H16B	119.7
C05B—C06B—C07B	135.5 (4)	C17B—C16B—H16B	119.7
C06B—C07B—C08B	131.2 (3)	C16B—C17B—H17B	119.1
C06B—C07B—C12B	108.8 (3)	C18B—C17B—H17B	119.1
C08B—C07B—C12B	119.5 (3)	C17B—C18B—H18B	120.8
C07B—C08B—C09B	119.0 (4)	C19B—C18B—H18B	120.8
C08B—C09B—C10B	121.8 (4)	C21B—C22B—H22B	120.8
C09B—C10B—C11B	120.2 (4)	C23B—C22B—H22B	120.8
C10B—C11B—C12B	118.4 (3)	C23B—C24B—H24B	120.8
C07B—C12B—C11B	121.2 (3)	C25B—C24B—H24B	120.8
C07B—C12B—C13B	108.5 (2)	C20B—C25B—H25B	118.2
C11B—C12B—C13B	130.1 (3)	C24B—C25B—H25B	118.2
C20A—C21A—N01A—O01A	107.0 (4)	C22A—C23A—N02A—O04A	15.9 (4)
C22A—C21A—N01A—O01A	−75.3 (4)	C24A—C23A—N02A—O04A	−165.6 (3)
C20A—C21A—N01A—O02A	−76.7 (4)	C22B—C23B—N02B—O03B	−162.7 (2)
C22A—C21A—N01A—O02A	101.0 (3)	C24B—C23B—N02B—O03B	15.9 (4)
C20B—C21B—N01B—O01B	94.1 (4)	C22B—C23B—N02B—O04B	15.8 (4)
C22B—C21B—N01B—O01B	−84.9 (3)	C24B—C23B—N02B—O04B	−165.6 (3)
C20B—C21B—N01B—O02B	−88.6 (3)	C21A—C20A—C13A—C01A	3.9 (4)
C22B—C21B—N01B—O02B	92.4 (3)	C25A—C20A—C13A—C01A	−179.4 (3)
C22A—C23A—N02A—O03A	−162.7 (3)	C21B—C20B—C13B—C01B	16.8 (4)
C24A—C23A—N02A—O03A	15.8 (4)	C25B—C20B—C13B—C01B	−165.8 (3)

(Fldnb2b) 7 - b-(2,4-dinitrophenyl)fluoradene

Crystal data

C25H14N2O4	Dx = 1.416 Mg m^−3
Mr = 406.38	Melting point: 240 C K
Monoclinic, P121/c1	Mo Kα radiation, λ = 0.71073 Å
a = 15.383 (2) Å	Cell parameters from 20988 reflections
b = 15.424 (3) Å	θ = 1.0–25.0°
c = 17.026 (3) Å	µ = 0.10 mm^−1
β = 109.31 (1)°	T = 273 K
V = 3812.5 (11) Å^3	Prism. Major faces are {011} and {010}, dark orange
Z = 8	0.50 × 0.20 × 0.20 mm
F(000) = 1680

Data collection

Nonius KappaCCD diffractometer	4893 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.029
Graphite monochromator	θmax = 25.0°, θmin = 1.8°
Detector resolution: 18 pixels mm^-1	h = −18→18
ϕ and ω scans with 2.0° steps	k = −18→18
12796 measured reflections	l = −20→20
6689 independent reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.052	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.130	H-atom parameters constrained
S = 1.06	w = 1/[σ^2(Fo^2) + (0.053P)^2 + 1.24P] where P = (Fo^2 + 2Fc^2)/3
6689 reflections	(Δ/σ)max = 0.001
559 parameters	Δρmax = 0.25 e Å^−3
0 restraints	Δρmin = −0.20 e Å^−3

Special details

Experimental. The crystal-to-detector distance was 36 mm. Each frame was measured for 80 s. The number of scan sets measured was 3; the total number of frames measured was 150.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
O01A	0.46352 (11)	0.11861 (13)	0.27018 (13)	0.0773 (6)
O02A	0.43109 (10)	0.22533 (11)	0.18556 (11)	0.0535 (5)
O03A	0.09766 (10)	−0.03463 (10)	0.00220 (10)	0.0462 (4)
O04A	0.23983 (10)	−0.07647 (9)	0.05043 (9)	0.0420 (4)
N01A	0.40902 (11)	0.16461 (12)	0.21996 (12)	0.0370 (4)
N02A	0.17720 (12)	−0.02728 (11)	0.04922 (10)	0.0327 (4)
C01A	0.36055 (14)	0.29256 (14)	0.31514 (15)	0.0381 (6)
C02A	0.38563 (15)	0.36728 (15)	0.28427 (15)	0.0452 (6)
C03A	0.47481 (17)	0.39907 (18)	0.32658 (19)	0.0585 (8)
H03A	0.4982	0.4471	0.3072	0.070*
C04A	0.52651 (18)	0.3555 (2)	0.3987 (2)	0.0680 (9)
H04A	0.5881	0.3708	0.4231	0.082*
C05A	0.49177 (16)	0.29097 (19)	0.43616 (18)	0.0614 (8)
H05A	0.5265	0.2682	0.4875	0.074*
C06A	0.40281 (14)	0.26110 (15)	0.39444 (15)	0.0439 (6)
C07A	0.32861 (15)	0.22171 (14)	0.41917 (14)	0.0402 (6)
C08A	0.32818 (19)	0.18912 (16)	0.49556 (15)	0.0543 (7)
H08A	0.3831	0.1817	0.5392	0.065*
C09A	0.2456 (2)	0.16807 (18)	0.50539 (17)	0.0627 (8)
H09A	0.2452	0.1466	0.5563	0.075*
C10A	0.16417 (19)	0.17798 (17)	0.44214 (16)	0.0547 (7)
H10A	0.1092	0.1632	0.4504	0.066*
C11A	0.16274 (15)	0.20995 (14)	0.36553 (14)	0.0389 (5)
H11A	0.1072	0.2160	0.3223	0.047*
C12A	0.24396 (13)	0.23265 (13)	0.35404 (13)	0.0313 (5)
C13A	0.26202 (12)	0.26664 (13)	0.27544 (12)	0.0296 (5)
C14A	0.22394 (14)	0.35016 (13)	0.22704 (13)	0.0329 (5)
C15A	0.13463 (16)	0.37465 (15)	0.18448 (14)	0.0430 (6)
H15A	0.0854	0.3398	0.1849	0.052*
C16A	0.1194 (2)	0.45317 (17)	0.14055 (16)	0.0579 (7)
H16A	0.0595	0.4710	0.1119	0.069*
C17A	0.1928 (2)	0.50422 (17)	0.13958 (16)	0.0612 (8)
H17A	0.1815	0.5557	0.1095	0.073*
C18A	0.2822 (2)	0.48054 (16)	0.18214 (16)	0.0560 (7)
H18A	0.3308	0.5160	0.1813	0.067*
C19A	0.29922 (16)	0.40352 (14)	0.22613 (14)	0.0421 (6)
C20A	0.24414 (12)	0.19012 (12)	0.21363 (12)	0.0263 (5)
C21A	0.31028 (12)	0.14172 (12)	0.19351 (12)	0.0262 (5)
C22A	0.28984 (12)	0.06945 (13)	0.14277 (12)	0.0287 (5)
H22A	0.3363	0.0370	0.1333	0.034*
C23A	0.19900 (12)	0.04686 (12)	0.10675 (12)	0.0274 (5)
C24A	0.12957 (13)	0.09286 (13)	0.12172 (12)	0.0319 (5)
H24A	0.0682	0.0775	0.0961	0.038*
C25A	0.15302 (13)	0.16220 (13)	0.17564 (13)	0.0318 (5)
H25A	0.1062	0.1919	0.1874	0.038*
O01B	0.94705 (10)	0.13353 (11)	0.29040 (11)	0.0600 (5)
O02B	0.93773 (10)	0.21478 (12)	0.18499 (10)	0.0533 (5)
O03B	0.60100 (10)	−0.04144 (10)	0.00653 (10)	0.0447 (4)
O04B	0.74436 (10)	−0.07840 (9)	0.05966 (10)	0.0436 (4)
N01B	0.90383 (11)	0.16833 (12)	0.22495 (12)	0.0346 (4)
N02B	0.67954 (12)	−0.03018 (11)	0.05442 (10)	0.0328 (4)
C01B	0.84246 (13)	0.32208 (14)	0.27852 (13)	0.0334 (5)
C02B	0.84432 (15)	0.39338 (14)	0.23085 (14)	0.0405 (6)
C03B	0.92791 (17)	0.43847 (17)	0.25281 (18)	0.0564 (7)
H03B	0.9361	0.4847	0.2209	0.068*
C04B	0.99789 (17)	0.41225 (18)	0.32336 (19)	0.0614 (8)
H04B	1.0557	0.4373	0.3343	0.074*
C05B	0.98694 (15)	0.35055 (17)	0.37901 (17)	0.0543 (7)
H05B	1.0334	0.3400	0.4293	0.065*
C06B	0.90367 (14)	0.30498 (15)	0.35669 (15)	0.0408 (6)
C07B	0.85085 (14)	0.25565 (14)	0.40082 (14)	0.0389 (5)
C08B	0.87581 (18)	0.22638 (16)	0.48156 (15)	0.0527 (7)
H08B	0.9365	0.2307	0.5167	0.063*
C09B	0.8087 (2)	0.19029 (17)	0.50970 (15)	0.0574 (7)
H09B	0.8250	0.1706	0.5643	0.069*
C10B	0.71890 (18)	0.18316 (16)	0.45855 (15)	0.0519 (7)
H10B	0.6752	0.1591	0.4790	0.062*
C11B	0.69252 (15)	0.21160 (14)	0.37624 (14)	0.0392 (6)
H11B	0.6320	0.2056	0.3412	0.047*
C12B	0.75788 (13)	0.24863 (13)	0.34797 (12)	0.0309 (5)
C13B	0.75026 (13)	0.28012 (12)	0.25995 (12)	0.0286 (5)
C14B	0.69038 (14)	0.35447 (13)	0.20863 (13)	0.0325 (5)
C15B	0.59651 (14)	0.36754 (14)	0.18276 (14)	0.0396 (6)
H15B	0.5588	0.3301	0.1998	0.048*
C16B	0.55869 (17)	0.43740 (15)	0.13081 (16)	0.0532 (7)
H16B	0.4954	0.4467	0.1135	0.064*
C17B	0.61378 (19)	0.49257 (16)	0.10497 (17)	0.0594 (7)
H17B	0.5871	0.5379	0.0690	0.071*
C18B	0.70826 (18)	0.48189 (15)	0.13149 (16)	0.0525 (7)
H18B	0.7452	0.5202	0.1145	0.063*
C19B	0.74716 (15)	0.41333 (14)	0.18374 (14)	0.0383 (5)
C20B	0.73524 (12)	0.19797 (12)	0.20489 (12)	0.0261 (5)
C21B	0.80389 (12)	0.14828 (13)	0.19016 (12)	0.0266 (5)
C22B	0.78696 (13)	0.07387 (13)	0.14284 (12)	0.0301 (5)
H22B	0.8351	0.0423	0.1352	0.036*
C23B	0.69730 (12)	0.04741 (12)	0.10721 (12)	0.0263 (5)
C24B	0.62567 (13)	0.09293 (13)	0.11882 (12)	0.0295 (5)
H24B	0.5651	0.0746	0.0942	0.035*
C25B	0.64569 (12)	0.16652 (13)	0.16781 (12)	0.0287 (5)
H25B	0.5973	0.1966	0.1766	0.034*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
O01A	0.0317 (9)	0.0680 (13)	0.1073 (17)	0.0017 (9)	−0.0104 (10)	0.0182 (12)
O02A	0.0471 (10)	0.0588 (12)	0.0616 (12)	−0.0231 (8)	0.0273 (9)	−0.0068 (9)
O03A	0.0347 (9)	0.0527 (10)	0.0448 (10)	−0.0103 (7)	0.0044 (7)	−0.0160 (8)
O04A	0.0451 (9)	0.0305 (9)	0.0515 (10)	0.0011 (7)	0.0175 (8)	−0.0067 (7)
N01A	0.0289 (10)	0.0359 (11)	0.0463 (12)	−0.0054 (9)	0.0127 (9)	−0.0115 (9)
N02A	0.0348 (10)	0.0309 (10)	0.0330 (11)	−0.0070 (8)	0.0123 (9)	−0.0013 (8)
C01A	0.0320 (12)	0.0376 (13)	0.0493 (16)	−0.0056 (10)	0.0194 (11)	−0.0193 (11)
C02A	0.0447 (14)	0.0463 (15)	0.0543 (16)	−0.0122 (12)	0.0293 (12)	−0.0241 (12)
C03A	0.0500 (15)	0.0550 (17)	0.084 (2)	−0.0233 (14)	0.0403 (16)	−0.0408 (16)
C04A	0.0356 (14)	0.075 (2)	0.093 (2)	−0.0098 (15)	0.0213 (16)	−0.0507 (19)
C05A	0.0352 (14)	0.0667 (19)	0.0700 (19)	0.0036 (13)	0.0008 (13)	−0.0349 (16)
C06A	0.0336 (12)	0.0456 (14)	0.0432 (15)	0.0059 (11)	0.0000 (11)	−0.0231 (12)
C07A	0.0424 (13)	0.0355 (13)	0.0368 (14)	0.0098 (10)	0.0052 (11)	−0.0076 (11)
C08A	0.0692 (18)	0.0470 (16)	0.0319 (15)	0.0215 (13)	−0.0033 (12)	−0.0042 (12)
C09A	0.092 (2)	0.0581 (18)	0.0439 (17)	0.0100 (16)	0.0308 (16)	0.0122 (14)
C10A	0.0699 (17)	0.0538 (16)	0.0479 (17)	0.0002 (13)	0.0296 (14)	0.0062 (13)
C11A	0.0421 (13)	0.0404 (13)	0.0368 (14)	0.0002 (10)	0.0164 (11)	0.0006 (10)
C12A	0.0353 (12)	0.0263 (11)	0.0311 (12)	0.0056 (9)	0.0094 (10)	−0.0028 (9)
C13A	0.0240 (10)	0.0332 (12)	0.0316 (12)	−0.0024 (9)	0.0091 (9)	−0.0067 (9)
C14A	0.0445 (13)	0.0289 (12)	0.0298 (12)	−0.0017 (10)	0.0186 (10)	−0.0052 (9)
C15A	0.0526 (14)	0.0366 (14)	0.0406 (14)	0.0048 (11)	0.0165 (12)	0.0005 (11)
C16A	0.0762 (18)	0.0460 (16)	0.0503 (17)	0.0186 (14)	0.0193 (14)	0.0017 (13)
C17A	0.105 (2)	0.0356 (15)	0.0522 (17)	0.0016 (16)	0.0391 (17)	0.0032 (13)
C18A	0.087 (2)	0.0374 (15)	0.0587 (17)	−0.0126 (14)	0.0446 (16)	−0.0080 (13)
C19A	0.0650 (16)	0.0320 (13)	0.0404 (14)	−0.0109 (11)	0.0324 (12)	−0.0134 (11)
C20A	0.0257 (10)	0.0273 (11)	0.0255 (11)	−0.0018 (8)	0.0079 (9)	−0.0021 (9)
C21A	0.0201 (10)	0.0303 (11)	0.0282 (11)	−0.0051 (8)	0.0079 (8)	−0.0004 (9)
C22A	0.0255 (10)	0.0304 (12)	0.0310 (12)	0.0018 (9)	0.0104 (9)	−0.0011 (9)
C23A	0.0289 (11)	0.0268 (11)	0.0257 (11)	−0.0057 (9)	0.0082 (9)	−0.0028 (9)
C24A	0.0216 (10)	0.0372 (13)	0.0340 (12)	−0.0063 (9)	0.0054 (9)	−0.0019 (10)
C25A	0.0238 (10)	0.0354 (12)	0.0373 (13)	−0.0015 (9)	0.0114 (9)	−0.0071 (10)
O01B	0.0377 (9)	0.0554 (11)	0.0654 (13)	−0.0057 (8)	−0.0119 (9)	0.0131 (10)
O02B	0.0364 (9)	0.0781 (13)	0.0510 (11)	−0.0157 (8)	0.0220 (8)	−0.0025 (9)
O03B	0.0387 (9)	0.0446 (10)	0.0456 (10)	−0.0145 (7)	0.0071 (8)	−0.0155 (8)
O04B	0.0513 (9)	0.0286 (9)	0.0516 (10)	0.0047 (7)	0.0180 (8)	−0.0064 (7)
N01B	0.0260 (9)	0.0348 (10)	0.0402 (12)	−0.0003 (8)	0.0073 (9)	−0.0082 (9)
N02B	0.0397 (11)	0.0281 (10)	0.0312 (10)	−0.0065 (9)	0.0123 (9)	−0.0014 (8)
C01B	0.0305 (11)	0.0335 (12)	0.0399 (14)	−0.0081 (9)	0.0168 (10)	−0.0172 (10)
C02B	0.0466 (14)	0.0332 (13)	0.0519 (15)	−0.0137 (10)	0.0304 (12)	−0.0159 (11)
C03B	0.0550 (16)	0.0488 (16)	0.078 (2)	−0.0217 (13)	0.0389 (16)	−0.0222 (14)
C04B	0.0414 (15)	0.0615 (18)	0.089 (2)	−0.0258 (13)	0.0323 (16)	−0.0382 (17)
C05B	0.0355 (13)	0.0626 (18)	0.0626 (18)	−0.0089 (12)	0.0132 (12)	−0.0317 (15)
C06B	0.0320 (12)	0.0417 (14)	0.0495 (15)	−0.0037 (10)	0.0144 (11)	−0.0225 (11)
C07B	0.0427 (13)	0.0389 (13)	0.0338 (14)	0.0029 (10)	0.0107 (11)	−0.0144 (11)
C08B	0.0550 (15)	0.0585 (17)	0.0377 (16)	0.0069 (13)	0.0059 (12)	−0.0117 (13)
C09B	0.083 (2)	0.0570 (17)	0.0327 (15)	0.0086 (15)	0.0204 (14)	0.0007 (12)
C10B	0.0677 (17)	0.0476 (16)	0.0495 (17)	0.0010 (13)	0.0317 (14)	0.0013 (13)
C11B	0.0472 (13)	0.0340 (13)	0.0429 (15)	0.0007 (10)	0.0235 (11)	−0.0037 (11)
C12B	0.0337 (11)	0.0282 (11)	0.0318 (12)	0.0006 (9)	0.0124 (10)	−0.0085 (9)
C13B	0.0265 (10)	0.0285 (11)	0.0327 (12)	−0.0033 (9)	0.0124 (9)	−0.0073 (9)
C14B	0.0409 (12)	0.0253 (11)	0.0361 (13)	−0.0055 (9)	0.0194 (10)	−0.0081 (9)
C15B	0.0392 (13)	0.0300 (13)	0.0504 (15)	−0.0019 (10)	0.0157 (11)	−0.0037 (11)
C16B	0.0507 (14)	0.0366 (15)	0.0668 (18)	0.0056 (12)	0.0119 (13)	0.0016 (13)
C17B	0.0758 (19)	0.0382 (15)	0.0625 (18)	0.0039 (14)	0.0203 (15)	0.0108 (13)
C18B	0.0728 (18)	0.0343 (14)	0.0586 (17)	−0.0094 (12)	0.0329 (14)	0.0011 (12)
C19B	0.0496 (13)	0.0279 (12)	0.0440 (14)	−0.0054 (10)	0.0245 (11)	−0.0075 (11)
C20B	0.0254 (10)	0.0256 (11)	0.0277 (11)	−0.0023 (8)	0.0095 (9)	−0.0004 (9)
C21B	0.0211 (10)	0.0306 (12)	0.0271 (11)	−0.0030 (8)	0.0065 (8)	−0.0032 (9)
C22B	0.0263 (10)	0.0321 (12)	0.0322 (12)	0.0036 (9)	0.0101 (9)	−0.0019 (10)
C23B	0.0313 (11)	0.0223 (11)	0.0243 (11)	−0.0025 (9)	0.0078 (9)	−0.0007 (9)
C24B	0.0251 (10)	0.0312 (12)	0.0296 (12)	−0.0045 (9)	0.0054 (9)	0.0020 (10)
C25B	0.0239 (10)	0.0290 (11)	0.0350 (12)	−0.0001 (9)	0.0121 (9)	−0.0014 (10)

Geometric parameters (Å, º)

O01A—N01A	1.210 (2)	C06B—C07B	1.486 (3)
O02A—N01A	1.211 (2)	C07B—C08B	1.375 (3)
O03A—N02A	1.226 (2)	C07B—C12B	1.420 (3)
O04A—N02A	1.221 (2)	C08B—C09B	1.390 (3)
N01A—C21A	1.477 (2)	C09B—C10B	1.372 (3)
N02A—C23A	1.470 (3)	C10B—C11B	1.395 (3)
C01A—C02A	1.374 (3)	C11B—C12B	1.374 (3)
C01A—C06A	1.379 (3)	C12B—C13B	1.543 (3)
C01A—C13A	1.495 (3)	C13B—C14B	1.548 (3)
C02A—C03A	1.410 (3)	C13B—C20B	1.547 (3)
C02A—C19A	1.480 (3)	C14B—C15B	1.378 (3)
C03A—C04A	1.396 (4)	C14B—C19B	1.418 (3)
C04A—C05A	1.381 (4)	C15B—C16B	1.393 (3)
C05A—C06A	1.395 (3)	C16B—C17B	1.372 (3)
C06A—C07A	1.472 (3)	C17B—C18B	1.382 (3)
C07A—C08A	1.396 (3)	C18B—C19B	1.384 (3)
C07A—C12A	1.414 (3)	C20B—C21B	1.393 (3)
C08A—C09A	1.375 (4)	C20B—C25B	1.399 (3)
C09A—C10A	1.363 (4)	C21B—C22B	1.377 (3)
C10A—C11A	1.388 (3)	C22B—C23B	1.372 (3)
C11A—C12A	1.372 (3)	C23B—C24B	1.375 (3)
C12A—C13A	1.546 (3)	C24B—C25B	1.382 (3)
C13A—C14A	1.537 (3)	C03A—H03A	0.93
C13A—C20A	1.544 (3)	C04A—H04A	0.93
C14A—C15A	1.377 (3)	C05A—H05A	0.93
C14A—C19A	1.425 (3)	C08A—H08A	0.93
C15A—C16A	1.402 (3)	C09A—H09A	0.93
C16A—C17A	1.381 (4)	C10A—H10A	0.93
C17A—C18A	1.375 (4)	C11A—H11A	0.93
C18A—C19A	1.382 (3)	C15A—H15A	0.93
C20A—C21A	1.393 (3)	C16A—H16A	0.93
C20A—C25A	1.403 (3)	C17A—H17A	0.93
C21A—C22A	1.381 (3)	C18A—H18A	0.93
C22A—C23A	1.372 (3)	C22A—H22A	0.93
C23A—C24A	1.375 (3)	C24A—H24A	0.93
C24A—C25A	1.378 (3)	C25A—H25A	0.93
O01B—N01B	1.217 (2)	C03B—H03B	0.93
O02B—N01B	1.218 (2)	C04B—H04B	0.93
O03B—N02B	1.226 (2)	C05B—H05B	0.93
O04B—N02B	1.223 (2)	C08B—H08B	0.93
N01B—C21B	1.486 (2)	C09B—H09B	0.93
N02B—C23B	1.467 (3)	C10B—H10B	0.93
C01B—C02B	1.373 (3)	C11B—H11B	0.93
C01B—C06B	1.378 (3)	C15B—H15B	0.93
C01B—C13B	1.495 (3)	C16B—H16B	0.93
C02B—C03B	1.400 (3)	C17B—H17B	0.93
C02B—C19B	1.476 (3)	C18B—H18B	0.93
C03B—C04B	1.382 (4)	C22B—H22B	0.93
C04B—C05B	1.392 (4)	C24B—H24B	0.93
C05B—C06B	1.399 (3)	C25B—H25B	0.93
O01A—N01A—O02A	123.8 (2)	C01B—C13B—C12B	99.7 (2)
O01A—N01A—C21A	118.5 (2)	C01B—C13B—C14B	98.3 (2)
O02A—N01A—C21A	117.5 (2)	C01B—C13B—C20B	115.1 (2)
O03A—N02A—O04A	124.4 (2)	C12B—C13B—C14B	128.4 (2)
O03A—N02A—C23A	117.7 (2)	C12B—C13B—C20B	106.2 (2)
O04A—N02A—C23A	117.8 (2)	C14B—C13B—C20B	108.8 (2)
C02A—C01A—C06A	124.7 (2)	C13B—C14B—C15B	130.8 (2)
C02A—C01A—C13A	115.0 (2)	C13B—C14B—C19B	109.4 (2)
C06A—C01A—C13A	115.3 (2)	C15B—C14B—C19B	119.6 (2)
C01A—C02A—C03A	116.4 (2)	C14B—C15B—C16B	119.3 (2)
C01A—C02A—C19A	105.6 (2)	C15B—C16B—C17B	120.7 (2)
C03A—C02A—C19A	135.9 (2)	C16B—C17B—C18B	121.0 (2)
C02A—C03A—C04A	117.2 (3)	C17B—C18B—C19B	119.1 (2)
C03A—C04A—C05A	124.0 (2)	C02B—C19B—C14B	108.5 (2)
C04A—C05A—C06A	117.8 (3)	C02B—C19B—C18B	130.8 (2)
C01A—C06A—C05A	116.6 (2)	C14B—C19B—C18B	120.2 (2)
C01A—C06A—C07A	105.4 (2)	C13B—C20B—C21B	126.1 (2)
C05A—C06A—C07A	135.5 (2)	C13B—C20B—C25B	119.0 (2)
C06A—C07A—C08A	131.1 (2)	C21B—C20B—C25B	114.8 (2)
C06A—C07A—C12A	109.1 (2)	N01B—C21B—C20B	124.0 (2)
C08A—C07A—C12A	119.1 (2)	N01B—C21B—C22B	112.2 (2)
C07A—C08A—C09A	119.2 (2)	C20B—C21B—C22B	123.8 (2)
C08A—C09A—C10A	121.5 (2)	C21B—C22B—C23B	118.3 (2)
C09A—C10A—C11A	120.5 (2)	N02B—C23B—C22B	118.0 (2)
C10A—C11A—C12A	119.5 (2)	N02B—C23B—C24B	120.6 (2)
C07A—C12A—C11A	120.2 (2)	C22B—C23B—C24B	121.4 (2)
C07A—C12A—C13A	109.7 (2)	C23B—C24B—C25B	118.5 (2)
C11A—C12A—C13A	130.0 (2)	C20B—C25B—C24B	123.2 (2)
C01A—C13A—C12A	98.3 (2)	C02A—C03A—H03A	121.4
C01A—C13A—C14A	99.7 (2)	C04A—C03A—H03A	121.4
C01A—C13A—C20A	116.0 (2)	C03A—C04A—H04A	118.0
C12A—C13A—C14A	127.1 (2)	C05A—C04A—H04A	118.0
C12A—C13A—C20A	106.8 (2)	C04A—C05A—H05A	121.1
C14A—C13A—C20A	109.0 (2)	C06A—C05A—H05A	121.1
C13A—C14A—C15A	130.5 (2)	C07A—C08A—H08A	120.4
C13A—C14A—C19A	108.8 (2)	C09A—C08A—H08A	120.4
C15A—C14A—C19A	120.6 (2)	C08A—C09A—H09A	119.3
C14A—C15A—C16A	118.6 (2)	C10A—C09A—H09A	119.3
C15A—C16A—C17A	120.4 (2)	C09A—C10A—H10A	119.8
C16A—C17A—C18A	121.4 (2)	C11A—C10A—H10A	119.8
C17A—C18A—C19A	119.4 (2)	C10A—C11A—H11A	120.3
C02A—C19A—C14A	109.2 (2)	C12A—C11A—H11A	120.3
C02A—C19A—C18A	130.9 (2)	C14A—C15A—H15A	120.7
C14A—C19A—C18A	119.6 (2)	C16A—C15A—H15A	120.7
C13A—C20A—C21A	126.7 (2)	C15A—C16A—H16A	119.8
C13A—C20A—C25A	118.3 (2)	C17A—C16A—H16A	119.8
C21A—C20A—C25A	115.0 (2)	C16A—C17A—H17A	119.3
N01A—C21A—C20A	123.9 (2)	C18A—C17A—H17A	119.3
N01A—C21A—C22A	112.5 (2)	C17A—C18A—H18A	120.3
C20A—C21A—C22A	123.5 (2)	C19A—C18A—H18A	120.3
C21A—C22A—C23A	118.2 (2)	C21A—C22A—H22A	120.9
N02A—C23A—C22A	118.0 (2)	C23A—C22A—H22A	120.9
N02A—C23A—C24A	120.3 (2)	C23A—C24A—H24A	120.8
C22A—C23A—C24A	121.7 (2)	C25A—C24A—H24A	120.8
C23A—C24A—C25A	118.4 (2)	C20A—C25A—H25A	118.4
C20A—C25A—C24A	123.2 (2)	C24A—C25A—H25A	118.4
O01B—N01B—O02B	124.4 (2)	C02B—C03B—H03B	121.0
O01B—N01B—C21B	116.9 (2)	C04B—C03B—H03B	121.0
O02B—N01B—C21B	118.5 (2)	C03B—C04B—H04B	118.1
O03B—N02B—O04B	124.2 (2)	C05B—C04B—H04B	118.1
O03B—N02B—C23B	117.8 (2)	C04B—C05B—H05B	121.2
O04B—N02B—C23B	118.0 (2)	C06B—C05B—H05B	121.2
C02B—C01B—C06B	125.7 (2)	C07B—C08B—H08B	120.6
C02B—C01B—C13B	115.2 (2)	C09B—C08B—H08B	120.6
C06B—C01B—C13B	114.8 (2)	C08B—C09B—H09B	119.3
C01B—C02B—C03B	115.9 (2)	C10B—C09B—H09B	119.3
C01B—C02B—C19B	105.8 (2)	C09B—C10B—H10B	119.7
C03B—C02B—C19B	135.8 (2)	C11B—C10B—H10B	119.7
C02B—C03B—C04B	118.0 (2)	C10B—C11B—H11B	120.7
C03B—C04B—C05B	123.8 (2)	C12B—C11B—H11B	120.7
C04B—C05B—C06B	117.7 (2)	C14B—C15B—H15B	120.3
C01B—C06B—C05B	116.0 (2)	C16B—C15B—H15B	120.3
C01B—C06B—C07B	105.9 (2)	C15B—C16B—H16B	119.6
C05B—C06B—C07B	136.4 (2)	C17B—C16B—H16B	119.6
C06B—C07B—C08B	130.9 (2)	C16B—C17B—H17B	119.5
C06B—C07B—C12B	108.9 (2)	C18B—C17B—H17B	119.5
C08B—C07B—C12B	119.9 (2)	C17B—C18B—H18B	120.5
C07B—C08B—C09B	118.8 (2)	C19B—C18B—H18B	120.5
C08B—C09B—C10B	121.3 (2)	C21B—C22B—H22B	120.8
C09B—C10B—C11B	120.7 (2)	C23B—C22B—H22B	120.8
C10B—C11B—C12B	118.6 (2)	C23B—C24B—H24B	120.8
C07B—C12B—C11B	120.7 (2)	C25B—C24B—H24B	120.8
C07B—C12B—C13B	109.2 (2)	C20B—C25B—H25B	118.4
C11B—C12B—C13B	129.9 (2)	C24B—C25B—H25B	118.4
C20A—C21A—N01A—O01A	111.4 (2)	C22A—C23A—N02A—O04A	16.1 (3)
C22A—C21A—N01A—O01A	−71.9 (2)	C24A—C23A—N02A—O04A	−165.5 (2)
C20A—C21A—N01A—O02A	−73.5 (3)	C22B—C23B—N02B—O03B	−161.9 (2)
C22A—C21A—N01A—O02A	103.2 (2)	C24B—C23B—N02B—O03B	16.7 (3)
C20B—C21B—N01B—O01B	93.2 (2)	C22B—C23B—N02B—O04B	16.5 (3)
C22B—C21B—N01B—O01B	−85.7 (2)	C24B—C23B—N02B—O04B	−164.9 (2)
C20B—C21B—N01B—O02B	−90.0 (2)	C21A—C20A—C13A—C01A	2.2 (3)
C22B—C21B—N01B—O02B	91.2 (2)	C25A—C20A—C13A—C01A	179.0 (2)
C22A—C23A—N02A—O03A	−162.6 (2)	C21B—C20B—C13B—C01B	17.9 (3)
C24A—C23A—N02A—O03A	15.8 (3)	C25B—C20B—C13B—C01B	−164.7 (2)

(Fldnb2c) 7 b-(2,4-dinitrophenyl)fluoradene

Crystal data

C25H14N2O4	Dx = 1.419 Mg m^−3
Mr = 406.38	Melting point: 240 C K
Monoclinic, P121/c1	Mo Kα radiation, λ = 0.71073 Å
a = 15.372 (2) Å	Cell parameters from 19582 reflections
b = 15.414 (3) Å	θ = 1.0–25.0°
c = 17.004 (3) Å	µ = 0.10 mm^−1
β = 109.24 (1)°	T = 250 K
V = 3804.0 (11) Å^3	Prism. Major faces are {011} and {010}, dark orange
Z = 8	0.50 × 0.20 × 0.20 mm
F(000) = 1680

Data collection

Nonius KappaCCD diffractometer	4932 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.026
Graphite monochromator	θmax = 25.0°, θmin = 1.9°
Detector resolution: 18 pixels mm^-1	h = −18→18
ϕ and ω scans with 2.0° steps	k = −18→17
12862 measured reflections	l = −20→20
6674 independent reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.051	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.126	H-atom parameters constrained
S = 1.06	w = 1/[σ^2(Fo^2) + (0.049P)^2 + 1.5P] where P = (Fo^2 + 2Fc^2)/3
6674 reflections	(Δ/σ)max < 0.001
559 parameters	Δρmax = 0.23 e Å^−3
0 restraints	Δρmin = −0.20 e Å^−3

Special details

Experimental. The crystal-to-detector distance was 36 mm. Each frame was measured for 80 s. The number of scan sets measured was 3; the total number of frames measured was 142.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
O01A	0.46373 (11)	0.11809 (13)	0.26953 (13)	0.0725 (6)
O02A	0.43084 (10)	0.22564 (11)	0.18563 (10)	0.0505 (4)
O03A	0.09763 (10)	−0.03460 (10)	0.00182 (9)	0.0436 (4)
O04A	0.23986 (10)	−0.07661 (9)	0.05007 (9)	0.0394 (4)
N01A	0.40898 (11)	0.16439 (12)	0.21981 (12)	0.0347 (4)
N02A	0.17718 (12)	−0.02733 (11)	0.04906 (10)	0.0310 (4)
C01A	0.36074 (14)	0.29250 (14)	0.31558 (14)	0.0361 (5)
C02A	0.38590 (15)	0.36746 (15)	0.28469 (15)	0.0417 (6)
C03A	0.47497 (17)	0.39852 (17)	0.32715 (18)	0.0540 (7)
H03A	0.4989	0.4469	0.3076	0.065*
C04A	0.52671 (17)	0.3549 (2)	0.39959 (19)	0.0606 (8)
H04A	0.5890	0.3703	0.4244	0.073*
C05A	0.49137 (16)	0.29063 (18)	0.43653 (17)	0.0555 (7)
H05A	0.5262	0.2677	0.4886	0.067*
C06A	0.40257 (14)	0.26050 (15)	0.39467 (14)	0.0411 (6)
C07A	0.32787 (15)	0.22116 (14)	0.41944 (14)	0.0377 (5)
C08A	0.32743 (18)	0.18865 (16)	0.49588 (15)	0.0511 (7)
H08A	0.3829	0.1811	0.5401	0.061*
C09A	0.2447 (2)	0.16780 (17)	0.50550 (16)	0.0576 (7)
H09A	0.2440	0.1459	0.5569	0.069*
C10A	0.16319 (19)	0.17811 (16)	0.44202 (15)	0.0516 (7)
H10A	0.1075	0.1634	0.4504	0.062*
C11A	0.16189 (15)	0.21001 (14)	0.36535 (13)	0.0362 (5)
H11A	0.1058	0.2161	0.3216	0.043*
C12A	0.24335 (13)	0.23256 (13)	0.35412 (12)	0.0292 (5)
C13A	0.26207 (13)	0.26650 (13)	0.27573 (12)	0.0283 (5)
C14A	0.22417 (14)	0.35027 (13)	0.22725 (12)	0.0312 (5)
C15A	0.13500 (16)	0.37503 (14)	0.18447 (14)	0.0404 (6)
H15A	0.0851	0.3398	0.1845	0.048*
C16A	0.12017 (19)	0.45372 (16)	0.14087 (15)	0.0531 (7)
H16A	0.0597	0.4719	0.1120	0.064*
C17A	0.1935 (2)	0.50477 (16)	0.13999 (16)	0.0568 (7)
H17A	0.1822	0.5569	0.1097	0.068*
C18A	0.2828 (2)	0.48099 (16)	0.18249 (16)	0.0518 (7)
H18A	0.3320	0.5168	0.1816	0.062*
C19A	0.29960 (16)	0.40370 (14)	0.22666 (14)	0.0384 (6)
C20A	0.24411 (12)	0.19007 (13)	0.21367 (12)	0.0257 (5)
C21A	0.31028 (12)	0.14155 (13)	0.19354 (12)	0.0254 (5)
C22A	0.28984 (13)	0.06944 (13)	0.14266 (12)	0.0276 (5)
H22A	0.3369	0.0367	0.1330	0.033*
C23A	0.19909 (12)	0.04682 (13)	0.10663 (12)	0.0260 (5)
C24A	0.12926 (13)	0.09290 (13)	0.12164 (12)	0.0306 (5)
H24A	0.0672	0.0774	0.0958	0.037*
C25A	0.15291 (13)	0.16219 (14)	0.17554 (13)	0.0310 (5)
H25A	0.1056	0.1924	0.1874	0.037*
O01B	0.94678 (10)	0.13377 (11)	0.29044 (11)	0.0572 (5)
O02B	0.93758 (10)	0.21497 (12)	0.18491 (10)	0.0499 (4)
O03B	0.60115 (10)	−0.04153 (10)	0.00648 (9)	0.0428 (4)
O04B	0.74442 (10)	−0.07849 (9)	0.05950 (9)	0.0407 (4)
N01B	0.90371 (11)	0.16849 (11)	0.22507 (12)	0.0326 (4)
N02B	0.67969 (12)	−0.03026 (11)	0.05428 (10)	0.0306 (4)
C01B	0.84205 (13)	0.32240 (14)	0.27816 (13)	0.0313 (5)
C02B	0.84385 (15)	0.39395 (14)	0.23050 (14)	0.0376 (6)
C03B	0.92764 (16)	0.43912 (16)	0.25210 (17)	0.0523 (7)
H03B	0.9361	0.4857	0.2196	0.063*
C04B	0.99768 (17)	0.41257 (18)	0.32317 (19)	0.0575 (8)
H04B	1.0562	0.4379	0.3344	0.069*
C05B	0.98662 (15)	0.35103 (17)	0.37868 (17)	0.0511 (7)
H05B	1.0336	0.3403	0.4295	0.061*
C06B	0.90327 (14)	0.30546 (15)	0.35652 (14)	0.0381 (6)
C07B	0.85055 (14)	0.25614 (14)	0.40066 (13)	0.0363 (5)
C08B	0.87555 (18)	0.22678 (16)	0.48155 (15)	0.0497 (7)
H08B	0.9369	0.2312	0.5170	0.060*
C09B	0.80846 (19)	0.19051 (17)	0.50992 (15)	0.0534 (7)
H09B	0.8249	0.1706	0.5652	0.064*
C10B	0.71881 (18)	0.18327 (16)	0.45869 (15)	0.0489 (6)
H10B	0.6746	0.1588	0.4793	0.059*
C11B	0.69234 (15)	0.21183 (14)	0.37632 (14)	0.0369 (5)
H11B	0.6311	0.2056	0.3410	0.044*
C12B	0.75734 (13)	0.24911 (13)	0.34786 (12)	0.0299 (5)
C13B	0.74987 (13)	0.28047 (13)	0.25954 (12)	0.0273 (5)
C14B	0.68988 (14)	0.35472 (13)	0.20846 (13)	0.0308 (5)
C15B	0.59582 (14)	0.36788 (14)	0.18259 (14)	0.0381 (5)
H15B	0.5577	0.3300	0.1998	0.046*
C16B	0.55805 (17)	0.43773 (15)	0.13075 (16)	0.0503 (6)
H16B	0.4941	0.4473	0.1134	0.060*
C17B	0.61337 (19)	0.49308 (16)	0.10453 (16)	0.0552 (7)
H17B	0.5865	0.5389	0.0681	0.066*
C18B	0.70760 (18)	0.48216 (15)	0.13096 (15)	0.0483 (6)
H18B	0.7449	0.5208	0.1136	0.058*
C19B	0.74668 (15)	0.41384 (14)	0.18327 (14)	0.0363 (5)
C20B	0.73496 (12)	0.19819 (12)	0.20466 (12)	0.0253 (4)
C21B	0.80406 (12)	0.14857 (13)	0.19031 (12)	0.0247 (4)
C22B	0.78690 (13)	0.07388 (13)	0.14285 (12)	0.0286 (5)
H22B	0.8355	0.0419	0.1351	0.034*
C23B	0.69731 (13)	0.04753 (12)	0.10723 (12)	0.0253 (5)
C24B	0.62532 (13)	0.09305 (13)	0.11864 (12)	0.0274 (5)
H24B	0.5641	0.0745	0.0938	0.033*
C25B	0.64537 (12)	0.16654 (13)	0.16752 (12)	0.0277 (5)
H25B	0.5964	0.1970	0.1764	0.033*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
O01A	0.0293 (9)	0.0651 (13)	0.0997 (16)	0.0019 (9)	−0.0105 (10)	0.0175 (12)
O02A	0.0445 (10)	0.0545 (11)	0.0591 (11)	−0.0200 (8)	0.0259 (9)	−0.0061 (9)
O03A	0.0330 (9)	0.0488 (10)	0.0416 (9)	−0.0099 (7)	0.0024 (7)	−0.0143 (8)
O04A	0.0427 (9)	0.0280 (9)	0.0484 (10)	0.0010 (7)	0.0163 (8)	−0.0060 (7)
N01A	0.0265 (10)	0.0338 (11)	0.0438 (12)	−0.0040 (9)	0.0116 (9)	−0.0098 (9)
N02A	0.0349 (11)	0.0283 (10)	0.0312 (10)	−0.0062 (8)	0.0126 (9)	−0.0011 (8)
C01A	0.0300 (11)	0.0360 (13)	0.0454 (15)	−0.0046 (10)	0.0165 (11)	−0.0168 (11)
C02A	0.0419 (13)	0.0410 (14)	0.0507 (15)	−0.0105 (11)	0.0266 (12)	−0.0224 (12)
C03A	0.0461 (15)	0.0502 (16)	0.078 (2)	−0.0223 (13)	0.0376 (15)	−0.0375 (15)
C04A	0.0325 (14)	0.069 (2)	0.079 (2)	−0.0078 (14)	0.0162 (15)	−0.0438 (17)
C05A	0.0336 (13)	0.0595 (18)	0.0635 (18)	0.0031 (12)	0.0025 (13)	−0.0307 (15)
C06A	0.0317 (12)	0.0418 (14)	0.0419 (15)	0.0062 (10)	0.0013 (11)	−0.0199 (11)
C07A	0.0399 (13)	0.0328 (13)	0.0352 (13)	0.0085 (10)	0.0055 (11)	−0.0077 (10)
C08A	0.0662 (17)	0.0445 (15)	0.0299 (14)	0.0173 (13)	−0.0014 (12)	−0.0031 (11)
C09A	0.086 (2)	0.0510 (17)	0.0408 (16)	0.0086 (15)	0.0274 (15)	0.0100 (13)
C10A	0.0668 (17)	0.0481 (16)	0.0466 (16)	−0.0005 (13)	0.0279 (14)	0.0063 (13)
C11A	0.0405 (13)	0.0362 (13)	0.0340 (13)	0.0004 (10)	0.0153 (10)	0.0003 (10)
C12A	0.0332 (11)	0.0241 (11)	0.0307 (12)	0.0040 (9)	0.0107 (9)	−0.0032 (9)
C13A	0.0249 (10)	0.0298 (12)	0.0304 (12)	−0.0036 (9)	0.0093 (9)	−0.0080 (9)
C14A	0.0412 (12)	0.0276 (12)	0.0281 (12)	−0.0016 (10)	0.0157 (10)	−0.0055 (9)
C15A	0.0504 (14)	0.0331 (14)	0.0390 (14)	0.0039 (11)	0.0168 (11)	−0.0007 (11)
C16A	0.0672 (17)	0.0438 (16)	0.0479 (16)	0.0170 (14)	0.0186 (13)	0.0032 (13)
C17A	0.097 (2)	0.0329 (15)	0.0502 (17)	0.0018 (15)	0.0370 (16)	0.0026 (12)
C18A	0.080 (2)	0.0344 (15)	0.0548 (17)	−0.0116 (13)	0.0408 (15)	−0.0075 (12)
C19A	0.0576 (15)	0.0281 (13)	0.0390 (14)	−0.0100 (11)	0.0286 (12)	−0.0113 (10)
C20A	0.0246 (10)	0.0278 (11)	0.0240 (11)	−0.0017 (9)	0.0068 (9)	0.0002 (9)
C21A	0.0196 (10)	0.0292 (12)	0.0271 (11)	−0.0042 (8)	0.0076 (8)	−0.0009 (9)
C22A	0.0244 (10)	0.0288 (12)	0.0308 (12)	0.0017 (9)	0.0105 (9)	0.0002 (9)
C23A	0.0281 (11)	0.0250 (11)	0.0244 (11)	−0.0047 (9)	0.0080 (9)	−0.0026 (9)
C24A	0.0226 (10)	0.0351 (13)	0.0318 (12)	−0.0062 (9)	0.0057 (9)	−0.0030 (10)
C25A	0.0228 (10)	0.0356 (13)	0.0352 (12)	0.0003 (9)	0.0104 (9)	−0.0067 (10)
O01B	0.0352 (9)	0.0538 (11)	0.0619 (12)	−0.0053 (8)	−0.0119 (9)	0.0134 (10)
O02B	0.0346 (9)	0.0719 (12)	0.0472 (10)	−0.0148 (8)	0.0187 (8)	−0.0024 (9)
O03B	0.0372 (9)	0.0431 (10)	0.0428 (10)	−0.0138 (7)	0.0058 (8)	−0.0141 (8)
O04B	0.0487 (9)	0.0261 (9)	0.0482 (10)	0.0034 (7)	0.0171 (8)	−0.0071 (7)
N01B	0.0253 (9)	0.0312 (10)	0.0390 (12)	−0.0011 (8)	0.0074 (9)	−0.0087 (9)
N02B	0.0382 (11)	0.0257 (10)	0.0292 (10)	−0.0063 (8)	0.0131 (9)	−0.0010 (8)
C01B	0.0294 (11)	0.0314 (12)	0.0360 (13)	−0.0059 (9)	0.0143 (10)	−0.0146 (10)
C02B	0.0443 (13)	0.0308 (13)	0.0468 (14)	−0.0112 (10)	0.0274 (11)	−0.0152 (11)
C03B	0.0511 (15)	0.0432 (15)	0.0746 (19)	−0.0205 (12)	0.0370 (15)	−0.0206 (14)
C04B	0.0377 (14)	0.0591 (18)	0.081 (2)	−0.0230 (13)	0.0268 (15)	−0.0353 (16)
C05B	0.0350 (13)	0.0581 (17)	0.0584 (17)	−0.0089 (12)	0.0130 (12)	−0.0288 (14)
C06B	0.0306 (12)	0.0401 (14)	0.0442 (14)	−0.0039 (10)	0.0131 (11)	−0.0209 (11)
C07B	0.0384 (12)	0.0364 (13)	0.0325 (13)	0.0030 (10)	0.0097 (10)	−0.0130 (10)
C08B	0.0537 (15)	0.0533 (17)	0.0353 (15)	0.0075 (13)	0.0055 (12)	−0.0093 (12)
C09B	0.0769 (19)	0.0539 (17)	0.0294 (14)	0.0059 (14)	0.0175 (14)	0.0020 (12)
C10B	0.0643 (17)	0.0450 (15)	0.0459 (16)	0.0010 (13)	0.0298 (14)	0.0013 (12)
C11B	0.0438 (13)	0.0310 (13)	0.0406 (14)	0.0001 (10)	0.0204 (11)	−0.0040 (10)
C12B	0.0334 (11)	0.0262 (11)	0.0316 (12)	−0.0003 (9)	0.0128 (10)	−0.0089 (9)
C13B	0.0264 (11)	0.0270 (12)	0.0300 (12)	−0.0036 (9)	0.0113 (9)	−0.0062 (9)
C14B	0.0380 (12)	0.0236 (11)	0.0342 (12)	−0.0036 (9)	0.0165 (10)	−0.0061 (9)
C15B	0.0377 (13)	0.0285 (13)	0.0486 (15)	−0.0011 (10)	0.0149 (11)	−0.0035 (11)
C16B	0.0477 (14)	0.0331 (14)	0.0644 (18)	0.0040 (12)	0.0108 (13)	0.0009 (13)
C17B	0.0678 (18)	0.0362 (15)	0.0579 (17)	0.0047 (13)	0.0159 (14)	0.0083 (13)
C18B	0.0674 (18)	0.0306 (14)	0.0534 (16)	−0.0081 (12)	0.0287 (14)	0.0014 (12)
C19B	0.0451 (13)	0.0277 (13)	0.0423 (14)	−0.0051 (10)	0.0229 (11)	−0.0076 (11)
C20B	0.0261 (10)	0.0229 (11)	0.0269 (11)	−0.0022 (8)	0.0089 (9)	0.0005 (9)
C21B	0.0211 (10)	0.0268 (11)	0.0250 (11)	−0.0013 (8)	0.0058 (8)	−0.0017 (9)
C22B	0.0250 (10)	0.0302 (12)	0.0309 (12)	0.0045 (9)	0.0096 (9)	−0.0006 (9)
C23B	0.0315 (11)	0.0212 (11)	0.0225 (11)	−0.0017 (9)	0.0081 (9)	−0.0006 (8)
C24B	0.0240 (10)	0.0281 (12)	0.0275 (12)	−0.0047 (9)	0.0048 (9)	0.0023 (9)
C25B	0.0223 (10)	0.0281 (12)	0.0335 (12)	0.0001 (9)	0.0102 (9)	−0.0014 (9)

Geometric parameters (Å, º)

O01A—N01A	1.210 (2)	C06B—C07B	1.483 (3)
O02A—N01A	1.213 (2)	C07B—C08B	1.377 (3)
O03A—N02A	1.227 (2)	C07B—C12B	1.422 (3)
O04A—N02A	1.223 (2)	C08B—C09B	1.392 (3)
N01A—C21A	1.476 (2)	C09B—C10B	1.371 (3)
N02A—C23A	1.470 (3)	C10B—C11B	1.395 (3)
C01A—C02A	1.376 (3)	C11B—C12B	1.372 (3)
C01A—C06A	1.377 (3)	C12B—C13B	1.545 (3)
C01A—C13A	1.498 (3)	C13B—C14B	1.545 (3)
C02A—C03A	1.405 (3)	C13B—C20B	1.546 (3)
C02A—C19A	1.477 (3)	C14B—C15B	1.381 (3)
C03A—C04A	1.399 (4)	C14B—C19B	1.422 (3)
C04A—C05A	1.377 (4)	C15B—C16B	1.391 (3)
C05A—C06A	1.395 (3)	C16B—C17B	1.378 (3)
C06A—C07A	1.477 (3)	C17B—C18B	1.378 (3)
C07A—C08A	1.395 (3)	C18B—C19B	1.382 (3)
C07A—C12A	1.415 (3)	C20B—C21B	1.394 (3)
C08A—C09A	1.373 (4)	C20B—C25B	1.400 (3)
C09A—C10A	1.367 (4)	C21B—C22B	1.381 (3)
C10A—C11A	1.387 (3)	C22B—C23B	1.371 (3)
C11A—C12A	1.372 (3)	C23B—C24B	1.377 (3)
C12A—C13A	1.545 (3)	C24B—C25B	1.378 (3)
C13A—C14A	1.539 (3)	C03A—H03A	0.94
C13A—C20A	1.545 (3)	C04A—H04A	0.94
C14A—C15A	1.377 (3)	C05A—H05A	0.94
C14A—C19A	1.425 (3)	C08A—H08A	0.94
C15A—C16A	1.400 (3)	C09A—H09A	0.94
C16A—C17A	1.379 (4)	C10A—H10A	0.94
C17A—C18A	1.373 (4)	C11A—H11A	0.94
C18A—C19A	1.386 (3)	C15A—H15A	0.94
C20A—C21A	1.393 (3)	C16A—H16A	0.94
C20A—C25A	1.404 (3)	C17A—H17A	0.94
C21A—C22A	1.380 (3)	C18A—H18A	0.94
C22A—C23A	1.371 (3)	C22A—H22A	0.94
C23A—C24A	1.379 (3)	C24A—H24A	0.94
C24A—C25A	1.376 (3)	C25A—H25A	0.94
O01B—N01B	1.215 (2)	C03B—H03B	0.94
O02B—N01B	1.219 (2)	C04B—H04B	0.94
O03B—N02B	1.225 (2)	C05B—H05B	0.94
O04B—N02B	1.222 (2)	C08B—H08B	0.94
N01B—C21B	1.481 (2)	C09B—H09B	0.94
N02B—C23B	1.470 (2)	C10B—H10B	0.94
C01B—C02B	1.374 (3)	C11B—H11B	0.94
C01B—C06B	1.379 (3)	C15B—H15B	0.94
C01B—C13B	1.493 (3)	C16B—H16B	0.94
C02B—C03B	1.403 (3)	C17B—H17B	0.94
C02B—C19B	1.476 (3)	C18B—H18B	0.94
C03B—C04B	1.389 (4)	C22B—H22B	0.94
C04B—C05B	1.387 (4)	C24B—H24B	0.94
C05B—C06B	1.400 (3)	C25B—H25B	0.94
O01A—N01A—O02A	123.7 (2)	C01B—C13B—C12B	99.7 (2)
O01A—N01A—C21A	118.7 (2)	C01B—C13B—C14B	98.5 (2)
O02A—N01A—C21A	117.4 (2)	C01B—C13B—C20B	115.1 (2)
O03A—N02A—O04A	124.3 (2)	C12B—C13B—C14B	128.1 (2)
O03A—N02A—C23A	117.9 (2)	C12B—C13B—C20B	106.2 (2)
O04A—N02A—C23A	117.8 (2)	C14B—C13B—C20B	109.0 (2)
C02A—C01A—C06A	125.0 (2)	C13B—C14B—C15B	131.0 (2)
C02A—C01A—C13A	115.0 (2)	C13B—C14B—C19B	109.4 (2)
C06A—C01A—C13A	115.0 (2)	C15B—C14B—C19B	119.5 (2)
C01A—C02A—C03A	116.0 (2)	C14B—C15B—C16B	119.4 (2)
C01A—C02A—C19A	105.6 (2)	C15B—C16B—C17B	120.7 (2)
C03A—C02A—C19A	136.3 (2)	C16B—C17B—C18B	120.9 (2)
C02A—C03A—C04A	117.6 (2)	C17B—C18B—C19B	119.4 (2)
C03A—C04A—C05A	123.5 (2)	C02B—C19B—C14B	108.3 (2)
C04A—C05A—C06A	118.3 (3)	C02B—C19B—C18B	131.0 (2)
C01A—C06A—C05A	116.3 (2)	C14B—C19B—C18B	120.2 (2)
C01A—C06A—C07A	105.6 (2)	C13B—C20B—C21B	125.8 (2)
C05A—C06A—C07A	135.5 (2)	C13B—C20B—C25B	119.1 (2)
C06A—C07A—C08A	131.0 (2)	C21B—C20B—C25B	115.0 (2)
C06A—C07A—C12A	108.9 (2)	N01B—C21B—C20B	124.3 (2)
C08A—C07A—C12A	119.4 (2)	N01B—C21B—C22B	112.3 (2)
C07A—C08A—C09A	119.0 (2)	C20B—C21B—C22B	123.4 (2)
C08A—C09A—C10A	121.5 (2)	C21B—C22B—C23B	118.4 (2)
C09A—C10A—C11A	120.6 (2)	N02B—C23B—C22B	117.9 (2)
C10A—C11A—C12A	119.3 (2)	N02B—C23B—C24B	120.5 (2)
C07A—C12A—C11A	120.2 (2)	C22B—C23B—C24B	121.6 (2)
C07A—C12A—C13A	109.6 (2)	C23B—C24B—C25B	118.2 (2)
C11A—C12A—C13A	130.1 (2)	C20B—C25B—C24B	123.3 (2)
C01A—C13A—C12A	98.6 (2)	C02A—C03A—H03A	121.2
C01A—C13A—C14A	99.6 (2)	C04A—C03A—H03A	121.2
C01A—C13A—C20A	116.1 (2)	C03A—C04A—H04A	118.2
C12A—C13A—C14A	127.0 (2)	C05A—C04A—H04A	118.2
C12A—C13A—C20A	106.8 (2)	C04A—C05A—H05A	120.9
C14A—C13A—C20A	108.8 (2)	C06A—C05A—H05A	120.9
C13A—C14A—C15A	130.6 (2)	C07A—C08A—H08A	120.5
C13A—C14A—C19A	108.9 (2)	C09A—C08A—H08A	120.5
C15A—C14A—C19A	120.4 (2)	C08A—C09A—H09A	119.2
C14A—C15A—C16A	118.7 (2)	C10A—C09A—H09A	119.2
C15A—C16A—C17A	120.6 (2)	C09A—C10A—H10A	119.7
C16A—C17A—C18A	121.4 (2)	C11A—C10A—H10A	119.7
C17A—C18A—C19A	119.4 (2)	C10A—C11A—H11A	120.4
C02A—C19A—C14A	109.3 (2)	C12A—C11A—H11A	120.4
C02A—C19A—C18A	130.8 (2)	C14A—C15A—H15A	120.7
C14A—C19A—C18A	119.6 (2)	C16A—C15A—H15A	120.7
C13A—C20A—C21A	126.6 (2)	C15A—C16A—H16A	119.7
C13A—C20A—C25A	118.4 (2)	C17A—C16A—H16A	119.7
C21A—C20A—C25A	114.9 (2)	C16A—C17A—H17A	119.3
N01A—C21A—C20A	123.9 (2)	C18A—C17A—H17A	119.3
N01A—C21A—C22A	112.4 (2)	C17A—C18A—H18A	120.3
C20A—C21A—C22A	123.6 (2)	C19A—C18A—H18A	120.3
C21A—C22A—C23A	118.2 (2)	C21A—C22A—H22A	120.9
N02A—C23A—C22A	118.1 (2)	C23A—C22A—H22A	120.9
N02A—C23A—C24A	120.1 (2)	C23A—C24A—H24A	120.9
C22A—C23A—C24A	121.7 (2)	C25A—C24A—H24A	120.9
C23A—C24A—C25A	118.2 (2)	C20A—C25A—H25A	118.3
C20A—C25A—C24A	123.4 (2)	C24A—C25A—H25A	118.3
O01B—N01B—O02B	124.5 (2)	C02B—C03B—H03B	121.2
O01B—N01B—C21B	117.0 (2)	C04B—C03B—H03B	121.2
O02B—N01B—C21B	118.4 (2)	C03B—C04B—H04B	118.0
O03B—N02B—O04B	124.2 (2)	C05B—C04B—H04B	118.0
O03B—N02B—C23B	117.7 (2)	C04B—C05B—H05B	121.1
O04B—N02B—C23B	118.1 (2)	C06B—C05B—H05B	121.1
C02B—C01B—C06B	125.6 (2)	C07B—C08B—H08B	120.5
C02B—C01B—C13B	115.1 (2)	C09B—C08B—H08B	120.5
C06B—C01B—C13B	114.9 (2)	C08B—C09B—H09B	119.4
C01B—C02B—C03B	116.1 (2)	C10B—C09B—H09B	119.4
C01B—C02B—C19B	105.9 (2)	C09B—C10B—H10B	119.6
C03B—C02B—C19B	135.8 (2)	C11B—C10B—H10B	119.6
C02B—C03B—C04B	117.6 (2)	C10B—C11B—H11B	120.6
C03B—C04B—C05B	124.0 (2)	C12B—C11B—H11B	120.6
C04B—C05B—C06B	117.8 (2)	C14B—C15B—H15B	120.3
C01B—C06B—C05B	116.0 (2)	C16B—C15B—H15B	120.3
C01B—C06B—C07B	105.9 (2)	C15B—C16B—H16B	119.6
C05B—C06B—C07B	136.5 (2)	C17B—C16B—H16B	119.6
C06B—C07B—C08B	130.9 (2)	C16B—C17B—H17B	119.6
C06B—C07B—C12B	108.9 (2)	C18B—C17B—H17B	119.6
C08B—C07B—C12B	119.8 (2)	C17B—C18B—H18B	120.3
C07B—C08B—C09B	118.9 (2)	C19B—C18B—H18B	120.3
C08B—C09B—C10B	121.1 (2)	C21B—C22B—H22B	120.8
C09B—C10B—C11B	120.8 (2)	C23B—C22B—H22B	120.8
C10B—C11B—C12B	118.8 (2)	C23B—C24B—H24B	120.9
C07B—C12B—C11B	120.6 (2)	C25B—C24B—H24B	120.9
C07B—C12B—C13B	109.0 (2)	C20B—C25B—H25B	118.3
C11B—C12B—C13B	130.1 (2)	C24B—C25B—H25B	118.3
C20A—C21A—N01A—O01A	112.1 (2)	C22A—C23A—N02A—O04A	16.0 (3)
C22A—C21A—N01A—O01A	−71.5 (2)	C24A—C23A—N02A—O04A	−165.6 (2)
C20A—C21A—N01A—O02A	−72.9 (3)	C22B—C23B—N02B—O03B	−162.1 (2)
C22A—C21A—N01A—O02A	103.6 (2)	C24B—C23B—N02B—O03B	16.5 (3)
C20B—C21B—N01B—O01B	93.3 (2)	C22B—C23B—N02B—O04B	16.5 (3)
C22B—C21B—N01B—O01B	−85.6 (2)	C24B—C23B—N02B—O04B	−164.9 (2)
C20B—C21B—N01B—O02B	−89.9 (2)	C21A—C20A—C13A—C01A	2.4 (3)
C22B—C21B—N01B—O02B	91.2 (2)	C25A—C20A—C13A—C01A	179.0 (2)
C22A—C23A—N02A—O03A	−162.4 (2)	C21B—C20B—C13B—C01B	17.9 (3)
C24A—C23A—N02A—O03A	16.0 (3)	C25B—C20B—C13B—C01B	−164.8 (2)

(Fltips) 7 b-triisopropylsilylfluoradene

Crystal data

C28H32Si	F(000) = 856
Mr = 396.63	Dx = 1.139 Mg m^−3
Triclinic, P1	Melting point: 140 C K
a = 8.012 (1) Å	Mo Kα radiation, λ = 0.71073 Å
b = 16.171 (2) Å	Cell parameters from 27832 reflections
c = 18.280 (2) Å	θ = 2.6–27.8°
α = 80.78 (1)°	µ = 0.11 mm^−1
β = 83.45 (1)°	T = 294 K
γ = 84.07 (1)°	Tablet, pale yellow
V = 2313.8 (5) Å^3	0.58 × 0.53 × 0.37 mm
Z = 4

Data collection

Nonius KappaCCD diffractometer	7133 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.035
Graphite monochromator	θmax = 25.0°, θmin = 2.6°
Detector resolution: 18 pixels mm^-1	h = 0→9
ϕ and ω scans with 1.0° steps	k = −18→19
8039 measured reflections	l = −21→21
8038 independent reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.055	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.144	H atoms treated by a mixture of independent and constrained refinement
S = 1.06	w = 1/[σ^2(Fo^2) + (0.061P)^2 + 0.97P] where P = (Fo^2 + 2Fc^2)/3
8038 reflections	(Δ/σ)max < 0.001
551 parameters	Δρmax = 0.30 e Å^−3
6 restraints	Δρmin = −0.33 e Å^−3

Special details

Experimental. The crystal-to-detector distance was 25 mm. Each frame was measured for 240 s. The number of scan sets measured was 3; the total number of frames measured was 268.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
SiA	−0.89797 (6)	0.23318 (3)	0.18885 (3)	0.03902 (15)
C01A	−1.1704 (2)	0.31459 (11)	0.11205 (9)	0.0379 (4)
C02A	−1.1750 (2)	0.29202 (13)	0.04259 (10)	0.0473 (5)
C03A	−1.2281 (3)	0.35676 (18)	−0.01316 (12)	0.0663 (6)
H03A	−1.2258	0.3472	−0.0621	0.080*
C04A	−1.2839 (3)	0.43511 (17)	0.00632 (14)	0.0716 (7)
H04A	−1.3075	0.4793	−0.0313	0.086*
C05A	−1.3058 (3)	0.45043 (14)	0.07888 (13)	0.0612 (6)
H05A	−1.3546	0.5020	0.0905	0.073*
C06A	−1.2533 (2)	0.38692 (12)	0.13446 (11)	0.0451 (4)
C07A	−1.3003 (2)	0.36460 (12)	0.21442 (11)	0.0457 (4)
C08A	−1.3933 (3)	0.41187 (15)	0.26490 (14)	0.0663 (6)
H08A	−1.4240	0.4687	0.2506	0.080*
C09A	−1.4392 (4)	0.37345 (19)	0.33605 (15)	0.0797 (8)
H09A	−1.4992	0.4049	0.3704	0.096*
C10A	−1.3975 (3)	0.28962 (19)	0.35671 (13)	0.0744 (7)
H10A	−1.4331	0.2644	0.4045	0.089*
C11A	−1.3030 (3)	0.24113 (15)	0.30784 (11)	0.0569 (5)
H11A	−1.2748	0.1842	0.3231	0.068*
C12A	−1.2512 (2)	0.27828 (11)	0.23625 (10)	0.0409 (4)
C13A	−1.1407 (2)	0.24398 (10)	0.17233 (9)	0.0358 (4)
C14A	−1.1646 (2)	0.17062 (12)	0.13293 (11)	0.0429 (4)
C15A	−1.1741 (3)	0.08626 (13)	0.15982 (15)	0.0602 (6)
H15A	−1.1716	0.0664	0.2104	0.072*
C16A	−1.1874 (4)	0.03129 (17)	0.1095 (2)	0.0853 (9)
H16A	−1.1967	−0.0255	0.1270	0.102*
C17A	−1.1869 (4)	0.0597 (2)	0.0345 (2)	0.0921 (10)
H17A	−1.1937	0.0216	0.0020	0.110*
C18A	−1.1766 (3)	0.14343 (19)	0.00642 (15)	0.0754 (7)
H18A	−1.1766	0.1620	−0.0444	0.091*
C19A	−1.1662 (2)	0.19988 (14)	0.05534 (11)	0.0508 (5)
C20A	−0.8377 (3)	0.13170 (14)	0.25320 (13)	0.0607 (6)
H20A	−0.8430	0.0861	0.2244	0.073*
C21A	−0.9415 (4)	0.10770 (18)	0.32643 (15)	0.0856 (8)
H21A	−1.0579	0.1090	0.3180	0.128*
H21B	−0.9299	0.1468	0.3595	0.128*
H21C	−0.9028	0.0521	0.3483	0.128*
C22A	−0.6517 (3)	0.12966 (18)	0.26731 (19)	0.0913 (9)
H22A	−0.5849	0.1447	0.2209	0.137*
H22B	−0.6133	0.0741	0.2895	0.137*
H22C	−0.6406	0.1689	0.3003	0.137*
C23A	−0.7730 (2)	0.22536 (13)	0.09475 (12)	0.0527 (5)
H23A	−0.8432	0.2573	0.0575	0.063*
C24A	−0.7403 (3)	0.13657 (16)	0.07439 (16)	0.0744 (7)
H24A	−0.8441	0.1102	0.0818	0.112*
H24B	−0.6607	0.1042	0.1055	0.112*
H24C	−0.6955	0.1396	0.0231	0.112*
C25A	−0.6044 (3)	0.2656 (2)	0.08187 (18)	0.0882 (9)
H25A	−0.6218	0.3215	0.0943	0.132*
H25B	−0.5608	0.2678	0.0305	0.132*
H25C	−0.5254	0.2325	0.1128	0.132*
C26A	−0.8351 (3)	0.32708 (13)	0.22574 (12)	0.0552 (5)
H26A	−0.7127	0.3168	0.2270	0.066*
C27A	−0.9036 (4)	0.33699 (18)	0.30610 (15)	0.0827 (8)
H27A	−0.8873	0.2840	0.3378	0.124*
H27B	−1.0217	0.3551	0.3079	0.124*
H27C	−0.8445	0.3780	0.3229	0.124*
C28A	−0.8601 (3)	0.41114 (14)	0.17449 (16)	0.0723 (7)
H28A	−0.8169	0.4043	0.1244	0.108*
H28B	−0.8009	0.4524	0.1910	0.108*
H28C	−0.9781	0.4295	0.1759	0.108*
SiB	−0.35456 (6)	0.23316 (3)	0.67385 (3)	0.04650 (17)
C01B	−0.6531 (2)	0.31266 (11)	0.61968 (10)	0.0380 (4)
C02B	−0.6826 (2)	0.29484 (13)	0.55140 (11)	0.0483 (5)
C03B	−0.7504 (3)	0.36213 (17)	0.50213 (13)	0.0679 (7)
H03B	−0.7660	0.3555	0.4538	0.082*
C04B	−0.7933 (3)	0.43872 (17)	0.52705 (17)	0.0743 (7)
H04B	−0.8260	0.4849	0.4928	0.089*
C05B	−0.7901 (3)	0.44991 (14)	0.59996 (16)	0.0694 (7)
H05B	−0.8309	0.5007	0.6157	0.083*
C06B	−0.7237 (2)	0.38275 (12)	0.64988 (12)	0.0493 (5)
C07B	−0.7447 (3)	0.35513 (13)	0.73033 (12)	0.0552 (5)
C08B	−0.8184 (4)	0.39734 (18)	0.78778 (17)	0.0868 (9)
H08B	−0.8493	0.4548	0.7785	0.104*
C09B	−0.8456 (5)	0.3540 (2)	0.85812 (18)	0.1100 (13)
H09B	−0.8939	0.3824	0.8968	0.132*
C10B	−0.8027 (5)	0.2695 (2)	0.87226 (15)	0.1036 (11)
H10B	−0.8266	0.2408	0.9200	0.124*
C11B	−0.7236 (3)	0.22519 (16)	0.81638 (12)	0.0704 (7)
H11B	−0.6926	0.1678	0.8270	0.084*
C12B	−0.6920 (2)	0.26774 (12)	0.74512 (10)	0.0468 (4)
C13B	−0.6028 (2)	0.23916 (10)	0.67397 (9)	0.0356 (4)
C14B	−0.6391 (2)	0.16880 (11)	0.63378 (10)	0.0409 (4)
C15B	−0.6341 (3)	0.08292 (12)	0.65642 (13)	0.0548 (5)
H15B	−0.6127	0.0599	0.7048	0.066*
C16B	−0.6617 (3)	0.03132 (16)	0.60542 (18)	0.0753 (7)
H16B	−0.6606	−0.0264	0.6205	0.090*
C17B	−0.6905 (4)	0.06418 (19)	0.53345 (18)	0.0868 (9)
H17B	−0.7070	0.0284	0.5004	0.104*
C18B	−0.6952 (3)	0.14959 (18)	0.50976 (15)	0.0751 (7)
H18B	−0.7151	0.1715	0.4610	0.090*
C19B	−0.6698 (3)	0.20264 (13)	0.55955 (11)	0.0509 (5)
C20B	−0.2688 (3)	0.13056 (16)	0.72904 (16)	0.0752 (8)	0.641 (3)
H20B	−0.2898	0.0872	0.7002	0.090*	0.641 (3)
C20X	−0.2688 (3)	0.13056 (16)	0.72904 (16)	0.0752 (8)	0.36
H20X	−0.2627	0.0851	0.6990	0.090*	0.359 (3)
C21B	−0.3485 (5)	0.10160 (19)	0.80657 (18)	0.1009 (11)
H21D	−0.2913	0.0491	0.8265	0.151*
H21E	−0.4652	0.0943	0.8047	0.151*
H21F	−0.3396	0.1430	0.8379	0.151*
C22B	−0.0728 (9)	0.1263 (8)	0.7259 (12)	0.101 (3)	0.641 (3)
H22D	−0.0267	0.1449	0.6758	0.151*	0.641 (3)
H22E	−0.0291	0.0694	0.7414	0.151*	0.641 (3)
H22F	−0.0419	0.1619	0.7585	0.151*	0.641 (3)
C22X	−0.0891 (19)	0.1463 (17)	0.743 (2)	0.171 (15)	0.359 (3)
H22G	−0.0263	0.1654	0.6967	0.257*	0.359 (3)
H22H	−0.0335	0.0950	0.7665	0.257*	0.359 (3)
H22I	−0.0958	0.1883	0.7753	0.257*	0.359 (3)
C23B	−0.2593 (3)	0.23142 (17)	0.57303 (17)	0.0847 (9)	0.641 (3)
H23B	−0.3472	0.2624	0.5438	0.102*	0.641 (3)
C23X	−0.2593 (3)	0.23142 (17)	0.57303 (17)	0.0847 (9)	0.36
H23X	−0.1423	0.2300	0.5843	0.102*	0.359 (3)
C24B	−0.2367 (4)	0.1460 (2)	0.54646 (18)	0.0980 (10)
H24D	−0.1879	0.1521	0.4956	0.147*
H24E	−0.3444	0.1238	0.5499	0.147*
H24F	−0.1636	0.1082	0.5771	0.147*
C25B	−0.1067 (5)	0.2737 (3)	0.5419 (3)	0.0831 (14)	0.641 (3)
H25D	−0.1139	0.3282	0.5572	0.125*	0.641 (3)
H25E	−0.0979	0.2800	0.4885	0.125*	0.641 (3)
H25F	−0.0090	0.2406	0.5596	0.125*	0.641 (3)
C25X	−0.2640 (11)	0.3203 (5)	0.5300 (4)	0.093 (3)	0.359 (3)
H25G	−0.2795	0.3602	0.5644	0.140*	0.359 (3)
H25H	−0.3558	0.3292	0.4993	0.140*	0.359 (3)
H25I	−0.1597	0.3276	0.4991	0.140*	0.359 (3)
C26B	−0.2879 (4)	0.32707 (17)	0.70753 (16)	0.0877 (10)	0.641 (3)
H26B	−0.1647	0.3174	0.7010	0.105*	0.641 (3)
C26X	−0.2879 (4)	0.32707 (17)	0.70753 (16)	0.0877 (10)	0.36
H26X	−0.3761	0.3695	0.6895	0.105*	0.359 (3)
C27B	−0.3219 (6)	0.3299 (2)	0.79178 (19)	0.1287 (16)
H27D	−0.2832	0.3804	0.8028	0.193*
H27E	−0.2629	0.2818	0.8185	0.193*
H27F	−0.4407	0.3292	0.8065	0.193*
C28B	−0.3181 (5)	0.4098 (2)	0.6590 (2)	0.0643 (10)	0.641 (3)
H28D	−0.2941	0.4025	0.6077	0.096*	0.641 (3)
H28E	−0.2459	0.4489	0.6703	0.096*	0.641 (3)
H28F	−0.4337	0.4311	0.6680	0.096*	0.641 (3)
C28X	−0.1466 (11)	0.3753 (7)	0.6907 (6)	0.119 (4)	0.359 (3)
H28G	−0.1097	0.3793	0.6385	0.179*	0.359 (3)
H28H	−0.0567	0.3486	0.7190	0.179*	0.359 (3)
H28I	−0.1776	0.4307	0.7032	0.179*	0.359 (3)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
SiA	0.0332 (3)	0.0371 (3)	0.0474 (3)	−0.00389 (19)	−0.0103 (2)	−0.0035 (2)
C01A	0.0279 (8)	0.0463 (10)	0.0383 (9)	−0.0046 (7)	−0.0027 (7)	−0.0020 (7)
C02A	0.0339 (9)	0.0684 (13)	0.0385 (9)	−0.0030 (8)	−0.0021 (7)	−0.0061 (9)
C03A	0.0567 (13)	0.0993 (19)	0.0386 (11)	−0.0081 (12)	−0.0068 (9)	0.0052 (11)
C04A	0.0625 (14)	0.0749 (16)	0.0662 (15)	0.0003 (12)	−0.0140 (11)	0.0244 (13)
C05A	0.0528 (12)	0.0502 (12)	0.0732 (15)	0.0018 (9)	−0.0077 (11)	0.0099 (10)
C06A	0.0350 (9)	0.0431 (10)	0.0554 (11)	−0.0022 (7)	−0.0041 (8)	−0.0028 (8)
C07A	0.0392 (10)	0.0484 (11)	0.0493 (10)	−0.0032 (8)	0.0029 (8)	−0.0126 (8)
C08A	0.0616 (14)	0.0574 (13)	0.0805 (16)	−0.0030 (11)	0.0108 (12)	−0.0255 (12)
C09A	0.0805 (18)	0.091 (2)	0.0695 (16)	−0.0144 (15)	0.0267 (13)	−0.0377 (15)
C10A	0.0819 (17)	0.096 (2)	0.0451 (12)	−0.0247 (15)	0.0194 (11)	−0.0161 (12)
C11A	0.0597 (13)	0.0640 (13)	0.0458 (11)	−0.0151 (10)	0.0030 (9)	−0.0039 (10)
C12A	0.0360 (9)	0.0466 (10)	0.0407 (9)	−0.0078 (7)	−0.0006 (7)	−0.0081 (8)
C13A	0.0321 (8)	0.0377 (9)	0.0372 (9)	−0.0038 (7)	−0.0033 (7)	−0.0044 (7)
C14A	0.0297 (9)	0.0468 (10)	0.0549 (11)	−0.0046 (7)	−0.0043 (7)	−0.0152 (8)
C15A	0.0515 (12)	0.0471 (12)	0.0844 (16)	−0.0097 (9)	−0.0035 (11)	−0.0162 (11)
C16A	0.0737 (17)	0.0575 (15)	0.135 (3)	−0.0161 (12)	−0.0097 (17)	−0.0398 (17)
C17A	0.0810 (19)	0.094 (2)	0.120 (3)	−0.0093 (16)	−0.0137 (17)	−0.070 (2)
C18A	0.0651 (15)	0.100 (2)	0.0734 (16)	−0.0054 (14)	−0.0104 (12)	−0.0483 (15)
C19A	0.0349 (10)	0.0710 (13)	0.0515 (11)	−0.0024 (9)	−0.0043 (8)	−0.0250 (10)
C20A	0.0566 (13)	0.0502 (12)	0.0755 (15)	−0.0029 (10)	−0.0267 (11)	0.0031 (10)
C21A	0.092 (2)	0.0742 (17)	0.0808 (18)	−0.0054 (14)	−0.0245 (15)	0.0265 (14)
C22A	0.0648 (16)	0.0809 (18)	0.125 (2)	0.0053 (13)	−0.0498 (17)	0.0140 (17)
C23A	0.0336 (10)	0.0565 (12)	0.0661 (13)	−0.0002 (8)	0.0012 (9)	−0.0105 (10)
C24A	0.0597 (14)	0.0725 (16)	0.0917 (18)	0.0069 (12)	0.0066 (13)	−0.0321 (14)
C25A	0.0429 (13)	0.102 (2)	0.119 (2)	−0.0176 (13)	0.0172 (14)	−0.0264 (18)
C26A	0.0511 (12)	0.0525 (12)	0.0680 (13)	−0.0122 (9)	−0.0194 (10)	−0.0127 (10)
C27A	0.102 (2)	0.0860 (19)	0.0740 (17)	−0.0212 (15)	−0.0253 (15)	−0.0329 (14)
C28A	0.0727 (16)	0.0470 (12)	0.1011 (19)	−0.0129 (11)	−0.0162 (14)	−0.0127 (12)
SiB	0.0361 (3)	0.0433 (3)	0.0587 (3)	−0.0057 (2)	−0.0130 (2)	0.0040 (2)
C01B	0.0274 (8)	0.0399 (9)	0.0444 (9)	−0.0034 (7)	−0.0013 (7)	−0.0007 (7)
C02B	0.0397 (10)	0.0598 (12)	0.0453 (10)	−0.0066 (8)	−0.0100 (8)	−0.0018 (9)
C03B	0.0611 (14)	0.0800 (17)	0.0590 (13)	−0.0130 (12)	−0.0211 (11)	0.0157 (12)
C04B	0.0533 (13)	0.0662 (16)	0.0924 (19)	−0.0018 (11)	−0.0182 (13)	0.0274 (14)
C05B	0.0499 (13)	0.0408 (11)	0.108 (2)	0.0045 (9)	0.0012 (12)	0.0070 (12)
C06B	0.0363 (10)	0.0402 (10)	0.0682 (13)	−0.0020 (8)	0.0035 (9)	−0.0056 (9)
C07B	0.0522 (12)	0.0458 (11)	0.0666 (13)	−0.0059 (9)	0.0162 (10)	−0.0194 (10)
C08B	0.0875 (19)	0.0725 (17)	0.101 (2)	−0.0147 (14)	0.0394 (16)	−0.0433 (15)
C09B	0.131 (3)	0.111 (3)	0.091 (2)	−0.038 (2)	0.060 (2)	−0.057 (2)
C10B	0.139 (3)	0.121 (3)	0.0507 (15)	−0.049 (2)	0.0400 (16)	−0.0245 (16)
C11B	0.0917 (18)	0.0690 (15)	0.0487 (12)	−0.0246 (13)	0.0121 (12)	−0.0060 (11)
C12B	0.0488 (11)	0.0493 (11)	0.0421 (10)	−0.0120 (8)	0.0076 (8)	−0.0101 (8)
C13B	0.0350 (9)	0.0340 (9)	0.0374 (9)	−0.0038 (7)	−0.0013 (7)	−0.0052 (7)
C14B	0.0324 (9)	0.0426 (10)	0.0493 (10)	−0.0055 (7)	−0.0020 (7)	−0.0117 (8)
C15B	0.0495 (11)	0.0419 (11)	0.0742 (14)	−0.0075 (9)	−0.0043 (10)	−0.0109 (10)
C16B	0.0692 (16)	0.0504 (13)	0.114 (2)	−0.0143 (11)	−0.0057 (15)	−0.0323 (14)
C17B	0.091 (2)	0.086 (2)	0.100 (2)	−0.0188 (15)	−0.0172 (16)	−0.0517 (17)
C18B	0.0819 (18)	0.0871 (19)	0.0677 (15)	−0.0147 (14)	−0.0202 (13)	−0.0320 (13)
C19B	0.0461 (11)	0.0597 (12)	0.0507 (11)	−0.0080 (9)	−0.0092 (9)	−0.0150 (9)
C20B	0.0616 (15)	0.0613 (14)	0.100 (2)	−0.0011 (11)	−0.0322 (14)	0.0109 (13)
C20X	0.0616 (15)	0.0613 (14)	0.100 (2)	−0.0011 (11)	−0.0322 (14)	0.0109 (13)
C21B	0.122 (3)	0.0778 (19)	0.096 (2)	−0.0052 (17)	−0.046 (2)	0.0302 (16)
C22B	0.058 (4)	0.068 (4)	0.178 (7)	0.008 (3)	−0.056 (4)	0.000 (5)
C22X	0.079 (10)	0.13 (2)	0.27 (4)	0.027 (9)	−0.076 (13)	0.086 (19)
C23B	0.0627 (16)	0.0687 (16)	0.105 (2)	0.0079 (12)	0.0352 (14)	0.0015 (14)
C23X	0.0627 (16)	0.0687 (16)	0.105 (2)	0.0079 (12)	0.0352 (14)	0.0015 (14)
C24B	0.083 (2)	0.103 (2)	0.101 (2)	0.0084 (17)	0.0276 (17)	−0.0330 (18)
C25B	0.055 (2)	0.084 (3)	0.108 (3)	−0.020 (2)	0.032 (2)	−0.025 (2)
C25X	0.081 (6)	0.142 (8)	0.053 (4)	−0.033 (5)	0.006 (4)	0.003 (4)
C26B	0.111 (2)	0.0736 (17)	0.0911 (19)	−0.0468 (16)	−0.0561 (17)	0.0073 (14)
C26X	0.111 (2)	0.0736 (17)	0.0911 (19)	−0.0468 (16)	−0.0561 (17)	0.0073 (14)
C27B	0.208 (5)	0.105 (3)	0.097 (2)	−0.057 (3)	−0.080 (3)	−0.014 (2)
C28B	0.065 (2)	0.0420 (18)	0.088 (3)	−0.0131 (15)	−0.0067 (19)	−0.0140 (17)
C28X	0.076 (6)	0.141 (9)	0.158 (9)	−0.061 (6)	−0.005 (6)	−0.050 (7)

Geometric parameters (Å, º)

SiA—C13A	1.987 (2)	C09A—H09A	0.93
SiA—C20A	1.912 (2)	C10A—H10A	0.93
SiA—C23A	1.905 (2)	C11A—H11A	0.93
SiA—C26A	1.891 (2)	C15A—H15A	0.93
SiB—C13B	1.981 (2)	C16A—H16A	0.93
SiB—C20B	1.905 (2)	C17A—H17A	0.93
SiB—C23B	1.916 (3)	C18A—H18A	0.93
SiB—C26B	1.874 (3)	C20A—H20A	0.98
C01A—C02A	1.382 (3)	C21A—H21A	0.96
C01A—C06A	1.381 (3)	C21A—H21B	0.96
C01A—C13A	1.475 (2)	C21A—H21C	0.96
C02A—C03A	1.407 (3)	C22A—H22A	0.96
C02A—C19A	1.466 (3)	C22A—H22B	0.96
C03A—C04A	1.387 (4)	C22A—H22C	0.96
C04A—C05A	1.376 (4)	C23A—H23A	0.98
C05A—C06A	1.392 (3)	C24A—H24A	0.96
C06A—C07A	1.463 (3)	C24A—H24B	0.96
C07A—C08A	1.394 (3)	C24A—H24C	0.96
C07A—C12A	1.416 (3)	C25A—H25A	0.96
C08A—C09A	1.375 (3)	C25A—H25B	0.96
C09A—C10A	1.365 (4)	C25A—H25C	0.96
C10A—C11A	1.391 (3)	C26A—H26A	0.98
C11A—C12A	1.386 (3)	C27A—H27A	0.96
C12A—C13A	1.526 (2)	C27A—H27B	0.96
C13A—C14A	1.522 (2)	C27A—H27C	0.96
C14A—C15A	1.381 (3)	C28A—H28A	0.96
C14A—C19A	1.423 (3)	C28A—H28B	0.96
C15A—C16A	1.397 (4)	C28A—H28C	0.96
C16A—C17A	1.374 (4)	C03B—H03B	0.93
C17A—C18A	1.377 (4)	C04B—H04B	0.93
C18A—C19A	1.391 (3)	C05B—H05B	0.93
C20A—C21A	1.510 (4)	C08B—H08B	0.93
C20A—C22A	1.537 (3)	C09B—H09B	0.93
C23A—C24A	1.530 (3)	C10B—H10B	0.93
C23A—C25A	1.537 (3)	C11B—H11B	0.93
C26A—C27A	1.536 (3)	C15B—H15B	0.93
C26A—C28A	1.531 (3)	C16B—H16B	0.93
C01B—C02B	1.376 (3)	C17B—H17B	0.93
C01B—C06B	1.381 (3)	C18B—H18B	0.93
C01B—C13B	1.475 (2)	C20B—H20B	0.98
C02B—C03B	1.402 (3)	C21B—H21D	0.96
C02B—C19B	1.468 (3)	C21B—H21E	0.96
C03B—C04B	1.385 (4)	C21B—H21F	0.96
C04B—C05B	1.377 (4)	C22B—H22D	0.96
C05B—C06B	1.403 (3)	C22B—H22E	0.96
C06B—C07B	1.463 (3)	C22B—H22F	0.96
C07B—C08B	1.387 (3)	C23B—H23B	0.98
C07B—C12B	1.424 (3)	C24B—H24D	0.96
C08B—C09B	1.368 (4)	C24B—H24E	0.96
C09B—C10B	1.365 (5)	C24B—H24F	0.96
C10B—C11B	1.397 (4)	C25B—H25D	0.96
C11B—C12B	1.381 (3)	C25B—H25E	0.96
C12B—C13B	1.526 (2)	C25B—H25F	0.96
C13B—C14B	1.518 (2)	C26B—H26B	0.98
C14B—C15B	1.382 (3)	C27B—H27D	0.96
C14B—C19B	1.418 (3)	C27B—H27E	0.96
C15B—C16B	1.396 (3)	C27B—H27F	0.96
C16B—C17B	1.373 (4)	C28B—H28D	0.96
C17B—C18B	1.378 (4)	C28B—H28E	0.96
C18B—C19B	1.391 (3)	C28B—H28F	0.96
C20B—C21B	1.509 (4)	C22X—H22G	0.96
C20B—C22B	1.560 (7)	C22X—H22H	0.96
C23B—C24B	1.523 (4)	C22X—H22I	0.96
C23B—C25B	1.476 (4)	C25X—H25G	0.96
C26B—C27B	1.540 (4)	C25X—H25H	0.96
C26B—C28B	1.495 (4)	C25X—H25I	0.96
C03A—H03A	0.93	C28X—H28G	0.96
C04A—H04A	0.93	C28X—H28H	0.96
C05A—H05A	0.93	C28X—H28I	0.96
C08A—H08A	0.93
C13A—SiA—C20A	111.9 (1)	C18A—C17A—H17A	119.4
C13A—SiA—C23A	106.9 (1)	C17A—C18A—H18A	120.5
C13A—SiA—C26A	112.4 (1)	C19A—C18A—H18A	120.5
C20A—SiA—C23A	106.6 (1)	SiA—C20A—H20A	105.7
C20A—SiA—C26A	110.2 (1)	C21A—C20A—H20A	105.7
C23A—SiA—C26A	108.6 (1)	C22A—C20A—H20A	105.7
C02A—C01A—C06A	124.1 (2)	C20A—C21A—H21A	109.5
C02A—C01A—C13A	115.2 (2)	C20A—C21A—H21B	109.5
C06A—C01A—C13A	115.5 (2)	C20A—C21A—H21C	109.5
C01A—C02A—C03A	116.0 (2)	C20A—C22A—H22A	109.5
C01A—C02A—C19A	105.1 (2)	C20A—C22A—H22B	109.5
C03A—C02A—C19A	136.3 (2)	C20A—C22A—H22C	109.5
C02A—C03A—C04A	118.7 (2)	SiA—C23A—H23A	105.8
C03A—C04A—C05A	123.0 (2)	C24A—C23A—H23A	105.8
C04A—C05A—C06A	118.5 (2)	C25A—C23A—H23A	105.8
C01A—C06A—C05A	117.1 (2)	C23A—C24A—H24A	109.5
C01A—C06A—C07A	105.1 (2)	C23A—C24A—H24B	109.5
C05A—C06A—C07A	135.3 (2)	C23A—C24A—H24C	109.5
C06A—C07A—C08A	130.1 (2)	C23A—C25A—H25A	109.5
C06A—C07A—C12A	109.1 (2)	C23A—C25A—H25B	109.5
C08A—C07A—C12A	120.6 (2)	C23A—C25A—H25C	109.5
C07A—C08A—C09A	119.2 (2)	SiA—C26A—H26A	104.6
C08A—C09A—C10A	120.5 (2)	C27A—C26A—H26A	104.6
C09A—C10A—C11A	121.5 (2)	C28A—C26A—H26A	104.6
C10A—C11A—C12A	119.5 (2)	C26A—C27A—H27A	109.5
C07A—C12A—C11A	118.7 (2)	C26A—C27A—H27B	109.5
C07A—C12A—C13A	109.4 (2)	C26A—C27A—H27C	109.5
C11A—C12A—C13A	131.8 (2)	C26A—C28A—H28A	109.5
SiA—C13A—C01A	108.5 (1)	C26A—C28A—H28B	109.5
SiA—C13A—C12A	111.6 (1)	C26A—C28A—H28C	109.5
SiA—C13A—C14A	105.8 (1)	C02B—C03B—H03B	120.8
C01A—C13A—C12A	99.4 (1)	C04B—C03B—H03B	120.8
C01A—C13A—C14A	99.9 (1)	C03B—C04B—H04B	118.4
C12A—C13A—C14A	129.3 (2)	C05B—C04B—H04B	118.4
C13A—C14A—C15A	130.9 (2)	C04B—C05B—H05B	120.8
C13A—C14A—C19A	108.9 (2)	C06B—C05B—H05B	120.8
C15A—C14A—C19A	120.1 (2)	C07B—C08B—H08B	120.2
C14A—C15A—C16A	118.6 (3)	C09B—C08B—H08B	120.2
C15A—C16A—C17A	121.1 (3)	C08B—C09B—H09B	119.6
C16A—C17A—C18A	121.2 (2)	C10B—C09B—H09B	119.6
C17A—C18A—C19A	118.9 (3)	C09B—C10B—H10B	119.4
C02A—C19A—C14A	109.2 (2)	C11B—C10B—H10B	119.4
C02A—C19A—C18A	130.4 (2)	C10B—C11B—H11B	120.5
C14A—C19A—C18A	120.0 (2)	C12B—C11B—H11B	120.5
SiA—C20A—C21A	120.6 (2)	C14B—C15B—H15B	120.6
SiA—C20A—C22A	109.1 (2)	C16B—C15B—H15B	120.6
C21A—C20A—C22A	109.1 (2)	C15B—C16B—H16B	119.4
SiA—C23A—C24A	115.2 (2)	C17B—C16B—H16B	119.4
SiA—C23A—C25A	115.4 (2)	C16B—C17B—H17B	119.6
C24A—C23A—C25A	107.9 (2)	C18B—C17B—H17B	119.6
SiA—C26A—C27A	116.5 (2)	C17B—C18B—H18B	120.4
SiA—C26A—C28A	114.9 (2)	C19B—C18B—H18B	120.4
C27A—C26A—C28A	110.1 (2)	SiB—C20B—H20B	104.3
C13B—SiB—C20B	111.6 (1)	C21B—C20B—H20B	104.3
C13B—SiB—C23B	107.2 (1)	C22B—C20B—H20B	104.3
C13B—SiB—C26B	111.3 (1)	C20B—C21B—H21D	109.5
C20B—SiB—C23B	105.9 (1)	C20B—C21B—H21E	109.5
C20B—SiB—C26B	111.8 (1)	C20B—C21B—H21F	109.5
C23B—SiB—C26B	108.9 (1)	C20B—C22B—H22D	109.5
C02B—C01B—C06B	124.6 (2)	C20B—C22B—H22E	109.5
C02B—C01B—C13B	115.3 (2)	C20B—C22B—H22F	109.5
C06B—C01B—C13B	115.4 (2)	SiB—C23B—H23B	103.3
C01B—C02B—C03B	116.3 (2)	C24B—C23B—H23B	103.3
C01B—C02B—C19B	105.1 (2)	C25B—C23B—H23B	103.3
C03B—C02B—C19B	136.6 (2)	C23B—C24B—H24D	109.5
C02B—C03B—C04B	118.4 (2)	C23B—C24B—H24E	109.5
C03B—C04B—C05B	123.3 (2)	C23B—C24B—H24F	109.5
C04B—C05B—C06B	118.4 (2)	C23B—C25B—H25D	109.5
C01B—C06B—C05B	116.3 (2)	C23B—C25B—H25E	109.5
C01B—C06B—C07B	105.2 (2)	C23B—C25B—H25F	109.5
C05B—C06B—C07B	136.2 (2)	SiB—C26B—H26B	101.9
C06B—C07B—C08B	130.6 (2)	C27B—C26B—H26B	101.9
C06B—C07B—C12B	108.9 (2)	C28B—C26B—H26B	101.9
C08B—C07B—C12B	120.1 (2)	C26B—C27B—H27D	109.5
C07B—C08B—C09B	119.6 (3)	C26B—C27B—H27E	109.5
C08B—C09B—C10B	120.8 (3)	C26B—C27B—H27F	109.5
C09B—C10B—C11B	121.3 (3)	C26B—C28B—H28D	109.5
C10B—C11B—C12B	119.1 (3)	C26B—C28B—H28E	109.5
C07B—C12B—C11B	119.0 (2)	C26B—C28B—H28F	109.5
C07B—C12B—C13B	109.1 (2)	H21A—C21A—H21B	109.5
C11B—C12B—C13B	131.8 (2)	H21A—C21A—H21C	109.5
SiB—C13B—C01B	107.4 (1)	H21B—C21A—H21C	109.5
SiB—C13B—C12B	111.2 (1)	H22A—C22A—H22B	109.5
SiB—C13B—C14B	106.4 (1)	H22A—C22A—H22C	109.5
C01B—C13B—C12B	99.4 (1)	H22B—C22A—H22C	109.5
C01B—C13B—C14B	100.0 (1)	H24A—C24A—H24B	109.5
C12B—C13B—C14B	129.7 (2)	H24A—C24A—H24C	109.5
C13B—C14B—C15B	130.9 (2)	H24B—C24A—H24C	109.5
C13B—C14B—C19B	109.2 (2)	H25A—C25A—H25B	109.5
C15B—C14B—C19B	119.8 (2)	H25A—C25A—H25C	109.5
C14B—C15B—C16B	118.8 (2)	H25B—C25A—H25C	109.5
C15B—C16B—C17B	121.3 (2)	H27A—C27A—H27B	109.5
C16B—C17B—C18B	120.7 (2)	H27A—C27A—H27C	109.5
C17B—C18B—C19B	119.3 (3)	H27B—C27A—H27C	109.5
C02B—C19B—C14B	109.1 (2)	H28A—C28A—H28B	109.5
C02B—C19B—C18B	130.6 (2)	H28A—C28A—H28C	109.5
C14B—C19B—C18B	120.1 (2)	H28B—C28A—H28C	109.5
SiB—C20B—C21B	119.8 (2)	H21D—C21B—H21E	109.5
SiB—C20B—C22B	110.5 (6)	H21D—C21B—H21F	109.5
C21B—C20B—C22B	111.8 (8)	H21E—C21B—H21F	109.5
SiB—C23B—C24B	116.3 (2)	H22D—C22B—H22E	109.5
SiB—C23B—C25B	122.2 (3)	H22D—C22B—H22F	109.5
C24B—C23B—C25B	105.9 (3)	H22E—C22B—H22F	109.5
SiB—C26B—C27B	116.4 (2)	H24D—C24B—H24E	109.5
SiB—C26B—C28B	116.2 (2)	H24D—C24B—H24F	109.5
C27B—C26B—C28B	114.9 (3)	H24E—C24B—H24F	109.5
C02A—C03A—H03A	120.7	H25D—C25B—H25E	109.5
C04A—C03A—H03A	120.7	H25D—C25B—H25F	109.5
C03A—C04A—H04A	118.5	H25E—C25B—H25F	109.5
C05A—C04A—H04A	118.5	H27D—C27B—H27E	109.5
C04A—C05A—H05A	120.8	H27D—C27B—H27F	109.5
C06A—C05A—H05A	120.8	H27E—C27B—H27F	109.5
C07A—C08A—H08A	120.4	H28D—C28B—H28E	109.5
C09A—C08A—H08A	120.4	H28D—C28B—H28F	109.5
C08A—C09A—H09A	119.7	H28E—C28B—H28F	109.5
C10A—C09A—H09A	119.7	H22G—C22X—H22H	109.5
C09A—C10A—H10A	119.3	H22G—C22X—H22I	109.5
C11A—C10A—H10A	119.3	H22H—C22X—H22I	109.5
C10A—C11A—H11A	120.3	H25G—C25X—H25H	109.5
C12A—C11A—H11A	120.3	H25G—C25X—H25I	109.5
C14A—C15A—H15A	120.7	H25H—C25X—H25I	109.5
C16A—C15A—H15A	120.7	H28G—C28X—H28H	109.5
C15A—C16A—H16A	119.4	H28G—C28X—H28I	109.5
C17A—C16A—H16A	119.4	H28H—C28X—H28I	109.5
C16A—C17A—H17A	119.4

(PseuFlda) 7 b-(2,4-dinitrophenyl)fluoradene

Crystal data

C25H14N2O4	Dx = 1.402 Mg m^−3
Mr = 406.38	Melting point: 240 C K
Monoclinic, P121/c1	Mo Kα radiation, λ = 0.71073 Å
a = 7.722 (2) Å	Cell parameters from 18571 reflections
b = 15.513 (4) Å	θ = 1.0–25.0°
c = 17.111 (4) Å	µ = 0.10 mm^−1
β = 110.04 (1)°	T = 295 K
V = 1925.6 (8) Å^3	Prism. Major faces are {011} and {010}, dark orange
Z = 4	0.50 × 0.20 × 0.20 mm
F(000) = 840

Data collection

Nonius KappaCCD diffractometer	2505 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.021
Graphite monochromator	θmax = 25.0°, θmin = 2.6°
Detector resolution: 18 pixels mm^-1	h = −9→9
ϕ and ω scans with 2.0° steps	k = −18→16
6094 measured reflections	l = −20→20
3377 independent reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.086	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.185	H-atom parameters constrained
S = 1.03	w = 1/[σ^2(Fo^2) + (0.042P)^2 + 3.3P] where P = (Fo^2 + 2Fc^2)/3
3377 reflections	(Δ/σ)max = 0.001
280 parameters	Δρmax = 0.38 e Å^−3
0 restraints	Δρmin = −0.40 e Å^−3

Special details

Experimental. The crystal-to-detector distance was 36 mm. Each frame was measured for 120 s. The number of scan sets measured was 3; the total number of frames measured was 130.

Geometry. Pseudocell refinement. Distances are inaccurate.

Refinement. Pseudocell refinement. Correct structure has a=15.444 A.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
O01	0.9125 (4)	0.1266 (2)	0.2835 (2)	0.1096 (14)
O02	0.8712 (4)	0.2183 (2)	0.18636 (18)	0.0760 (9)
O03	0.1989 (3)	−0.03842 (17)	0.00601 (16)	0.0632 (8)
O04	0.4846 (3)	−0.07668 (16)	0.05577 (16)	0.0600 (7)
N01	0.8154 (4)	0.1657 (2)	0.2238 (2)	0.0496 (8)
N02	0.3576 (4)	−0.02853 (18)	0.05295 (17)	0.0446 (7)
C01	0.7071 (6)	0.3078 (3)	0.2961 (4)	0.0853 (17)
C02	0.7251 (10)	0.3818 (4)	0.2534 (5)	0.132 (3)
C03	0.9064 (16)	0.4227 (7)	0.2862 (9)	0.223 (9)
H03	0.9444	0.4685	0.2611	0.268*
C04	1.018 (3)	0.3825 (12)	0.3624 (17)	0.294 (17)
H04	1.1352	0.4064	0.3843	0.352*
C05	0.9917 (14)	0.3224 (9)	0.4059 (11)	0.250 (11)
H05	1.0809	0.3039	0.4549	0.300*
C06	0.8140 (6)	0.2850 (5)	0.3737 (5)	0.123 (3)
C07	0.6918 (7)	0.2394 (4)	0.4098 (3)	0.0944 (19)
C08	0.7178 (14)	0.2087 (6)	0.4877 (4)	0.172 (5)
H08	0.8365	0.2073	0.5266	0.207*
C09	0.578 (2)	0.1807 (6)	0.5097 (5)	0.189 (7)
H09	0.6000	0.1622	0.5639	0.227*
C10	0.4014 (13)	0.1791 (4)	0.4524 (4)	0.127 (3)
H10	0.3056	0.1577	0.4681	0.152*
C11	0.3644 (7)	0.2091 (2)	0.3716 (3)	0.0666 (12)
H11	0.2457	0.2082	0.3327	0.080*
C12	0.5092 (5)	0.2396 (2)	0.3518 (2)	0.0499 (9)
C13	0.5159 (4)	0.2723 (2)	0.2682 (2)	0.0460 (9)
C14	0.4139 (7)	0.3505 (2)	0.2175 (3)	0.0631 (11)
C15	0.2288 (8)	0.3678 (3)	0.1836 (3)	0.0828 (15)
H15	0.1430	0.3309	0.1930	0.099*
C16	0.1714 (13)	0.4415 (4)	0.1347 (4)	0.140 (3)
H16	0.0465	0.4539	0.1106	0.169*
C17	0.301 (2)	0.4955 (6)	0.1225 (7)	0.218 (8)
H17	0.2611	0.5455	0.0915	0.262*
C18	0.4789 (19)	0.4792 (5)	0.1529 (8)	0.199 (7)
H18	0.5621	0.5153	0.1405	0.238*
C19	0.5423 (12)	0.4070 (3)	0.2042 (4)	0.117 (3)
C20	0.4821 (4)	0.1932 (2)	0.20980 (19)	0.0379 (8)
C21	0.6161 (4)	0.1446 (2)	0.19265 (19)	0.0372 (7)
C22	0.5779 (4)	0.0716 (2)	0.1437 (2)	0.0409 (8)
H22	0.6722	0.0400	0.1352	0.049*
C23	0.3981 (4)	0.0470 (2)	0.10810 (18)	0.0366 (7)
C24	0.2577 (4)	0.0923 (2)	0.1210 (2)	0.0415 (8)
H24	0.1355	0.0755	0.0958	0.050*
C25	0.3022 (4)	0.1633 (2)	0.1723 (2)	0.0428 (8)
H25	0.2073	0.1929	0.1825	0.051*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
O01	0.0600 (19)	0.086 (2)	0.134 (3)	−0.0136 (17)	−0.029 (2)	0.030 (2)
O02	0.0563 (17)	0.101 (2)	0.079 (2)	−0.0318 (16)	0.0337 (15)	−0.0078 (18)
O03	0.0517 (15)	0.0662 (18)	0.0629 (17)	−0.0172 (13)	0.0084 (13)	−0.0223 (14)
O04	0.0635 (16)	0.0403 (15)	0.0752 (19)	0.0041 (13)	0.0224 (14)	−0.0127 (13)
N01	0.0376 (15)	0.0475 (18)	0.060 (2)	−0.0058 (14)	0.0124 (15)	−0.0141 (16)
N02	0.0491 (17)	0.0407 (17)	0.0441 (16)	−0.0095 (14)	0.0160 (14)	−0.0039 (13)
C01	0.058 (3)	0.091 (4)	0.126 (4)	−0.033 (3)	0.056 (3)	−0.077 (3)
C02	0.159 (6)	0.077 (4)	0.240 (8)	−0.077 (4)	0.171 (6)	−0.100 (5)
C03	0.256 (14)	0.129 (8)	0.43 (2)	−0.134 (9)	0.300 (16)	−0.175 (11)
C04	0.148 (11)	0.28 (2)	0.49 (3)	−0.094 (12)	0.158 (14)	−0.33 (3)
C05	0.068 (5)	0.298 (18)	0.345 (19)	−0.006 (8)	0.022 (8)	−0.290 (17)
C06	0.047 (3)	0.167 (6)	0.145 (6)	−0.010 (3)	0.020 (3)	−0.124 (5)
C07	0.090 (4)	0.109 (4)	0.056 (3)	0.044 (3)	−0.011 (3)	−0.048 (3)
C08	0.230 (10)	0.172 (9)	0.051 (5)	0.130 (8)	−0.036 (5)	−0.046 (5)
C09	0.41 (2)	0.107 (6)	0.046 (4)	0.101 (9)	0.067 (7)	0.017 (4)
C10	0.262 (9)	0.072 (4)	0.084 (4)	0.007 (5)	0.106 (5)	0.004 (3)
C11	0.103 (3)	0.049 (2)	0.063 (3)	−0.001 (2)	0.047 (2)	−0.003 (2)
C12	0.056 (2)	0.049 (2)	0.043 (2)	0.0080 (17)	0.0153 (17)	−0.0118 (17)
C13	0.0409 (18)	0.045 (2)	0.059 (2)	−0.0146 (15)	0.0261 (17)	−0.0209 (17)
C14	0.107 (3)	0.037 (2)	0.067 (3)	−0.010 (2)	0.057 (3)	−0.0127 (19)
C15	0.129 (4)	0.046 (3)	0.068 (3)	0.019 (3)	0.027 (3)	−0.002 (2)
C16	0.258 (9)	0.069 (4)	0.083 (4)	0.068 (5)	0.044 (5)	0.012 (3)
C17	0.53 (3)	0.055 (5)	0.157 (8)	0.065 (10)	0.229 (14)	0.026 (5)
C18	0.434 (19)	0.040 (4)	0.265 (13)	−0.020 (7)	0.304 (15)	−0.011 (5)
C19	0.214 (7)	0.043 (3)	0.174 (6)	−0.033 (4)	0.170 (6)	−0.034 (3)
C20	0.0363 (17)	0.0378 (18)	0.0424 (18)	−0.0048 (14)	0.0171 (14)	−0.0042 (15)
C21	0.0313 (15)	0.0410 (19)	0.0386 (18)	−0.0075 (14)	0.0112 (13)	−0.0045 (15)
C22	0.0376 (17)	0.0416 (19)	0.0445 (19)	0.0011 (14)	0.0151 (15)	−0.0053 (16)
C23	0.0406 (17)	0.0336 (18)	0.0332 (17)	−0.0054 (14)	0.0098 (14)	−0.0017 (14)
C24	0.0328 (16)	0.045 (2)	0.0455 (19)	−0.0080 (14)	0.0116 (14)	−0.0040 (16)
C25	0.0341 (17)	0.047 (2)	0.051 (2)	−0.0034 (15)	0.0189 (15)	−0.0082 (17)

Geometric parameters (Å, º)

O01—N01	1.203 (4)	C14—C19	1.400 (6)
O02—N01	1.204 (4)	C15—C16	1.397 (7)
O03—N02	1.223 (3)	C16—C17	1.374 (14)
O04—N02	1.220 (3)	C17—C18	1.318 (18)
N01—C21	1.482 (4)	C18—C19	1.403 (12)
N02—C23	1.469 (4)	C20—C21	1.390 (4)
C01—C02	1.393 (9)	C20—C25	1.395 (4)
C01—C06	1.349 (8)	C21—C22	1.379 (4)
C01—C13	1.493 (5)	C22—C23	1.366 (4)
C02—C03	1.462 (11)	C23—C24	1.373 (4)
C02—C19	1.428 (10)	C24—C25	1.377 (4)
C03—C04	1.44 (3)	C03—H03	0.93
C04—C05	1.25 (3)	C04—H04	0.93
C05—C06	1.416 (10)	C05—H05	0.93
C06—C07	1.474 (9)	C08—H08	0.93
C07—C08	1.365 (10)	C09—H09	0.93
C07—C12	1.419 (6)	C10—H10	0.93
C08—C09	1.329 (15)	C11—H11	0.93
C09—C10	1.382 (13)	C15—H15	0.93
C10—C11	1.393 (7)	C16—H16	0.93
C11—C12	1.359 (5)	C17—H17	0.93
C12—C13	1.536 (5)	C18—H18	0.93
C13—C14	1.542 (6)	C22—H22	0.93
C13—C20	1.547 (4)	C24—H24	0.93
C14—C15	1.372 (6)	C25—H25	0.93
O01—N01—O02	124.1 (3)	C02—C19—C18	130.5 (7)
O01—N01—C21	117.5 (3)	C14—C19—C18	119.1 (8)
O02—N01—C21	118.3 (3)	C13—C20—C21	126.4 (3)
O03—N02—O04	124.0 (3)	C13—C20—C25	118.8 (3)
O03—N02—C23	117.8 (3)	C21—C20—C25	114.8 (3)
O04—N02—C23	118.1 (3)	N01—C21—C20	124.1 (3)
C02—C01—C06	126.5 (6)	N01—C21—C22	112.3 (3)
C02—C01—C13	113.7 (6)	C20—C21—C22	123.6 (3)
C06—C01—C13	115.0 (5)	C21—C22—C23	118.3 (3)
C01—C02—C03	114.2 (9)	N02—C23—C22	118.1 (3)
C01—C02—C19	106.2 (4)	N02—C23—C24	120.4 (3)
C03—C02—C19	137.0 (8)	C22—C23—C24	121.5 (3)
C02—C03—C04	111.0 (11)	C23—C24—C25	118.3 (3)
C03—C04—C05	133.9 (18)	C20—C25—C24	123.4 (3)
C04—C05—C06	114 (2)	C02—C03—H03	124.5
C01—C06—C05	117.4 (11)	C04—C03—H03	124.5
C01—C06—C07	105.9 (4)	C03—C04—H04	113.0
C05—C06—C07	135.1 (10)	C05—C04—H04	113.0
C06—C07—C08	132.5 (7)	C04—C05—H05	123.0
C06—C07—C12	109.4 (5)	C06—C05—H05	123.0
C08—C07—C12	117.5 (7)	C07—C08—H08	119.0
C07—C08—C09	121.9 (9)	C09—C08—H08	119.0
C08—C09—C10	120.3 (7)	C08—C09—H09	119.8
C09—C10—C11	121.0 (7)	C10—C09—H09	119.8
C10—C11—C12	117.2 (5)	C09—C10—H10	119.5
C07—C12—C11	122.0 (4)	C11—C10—H10	119.5
C07—C12—C13	108.0 (4)	C10—C11—H11	121.4
C11—C12—C13	129.8 (3)	C12—C11—H11	121.4
C01—C13—C12	99.7 (3)	C14—C15—H15	120.5
C01—C13—C14	98.5 (4)	C16—C15—H15	120.5
C01—C13—C20	115.4 (3)	C15—C16—H16	120.3
C12—C13—C14	127.6 (3)	C17—C16—H16	120.3
C12—C13—C20	106.7 (3)	C16—C17—H17	118.7
C14—C13—C20	108.7 (3)	C18—C17—H17	118.7
C13—C14—C15	130.5 (4)	C17—C18—H18	120.2
C13—C14—C19	109.3 (5)	C19—C18—H18	120.2
C15—C14—C19	120.2 (5)	C21—C22—H22	120.8
C14—C15—C16	119.0 (6)	C23—C22—H22	120.8
C15—C16—C17	119.5 (9)	C23—C24—H24	120.8
C16—C17—C18	122.5 (9)	C25—C24—H24	120.8
C17—C18—C19	119.6 (9)	C20—C25—H25	118.3
C02—C19—C14	110.2 (5)	C24—C25—H25	118.3

(PseuTips) 7 b-triisopropylsilylfluoradene

Crystal data

C28H32Si	Z = 4
Mr = 396.63	F(000) = 856
Triclinic, P1	Dx = 1.139 Mg m^−3
Hall symbol: -b 1	Melting point: 140 C K
a = 8.012 (1) Å	Mo Kα radiation, λ = 0.71073 Å
b = 16.171 (2) Å	Cell parameters from 27832 reflections
c = 18.280 (2) Å	θ = 2.6–27.8°
α = 80.78 (1)°	µ = 0.11 mm^−1
β = 83.45 (1)°	T = 294 K
γ = 84.07 (1)°	Tablet, pale yellow
V = 2313.8 (5) Å^3	0.58 × 0.53 × 0.37 mm

Data collection

Nonius KappaCCD diffractometer	3640 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.031
Graphite monochromator	θmax = 25.0°, θmin = 3.2°
Detector resolution: 18 pixels mm^-1	h = 0→9
ϕ and ω scans with 1.0° steps	k = −18→19
3988 measured reflections	l = −21→21
3988 independent reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.082	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.206	H-atom parameters constrained
S = 1.03	w = 1/[σ^2(Fo^2) + (0.089P)^2 + 3.9P] where P = (Fo^2 + 2Fc^2)/3
3988 reflections	(Δ/σ)max < 0.001
271 parameters	Δρmax = 0.32 e Å^−3
4 restraints	Δρmin = −0.54 e Å^−3

Special details

Experimental. The crystal-to-detector distance was 25 mm. Each frame was measured for 240 s. The number of scan sets measured was 3; the total number of frames measured was 268.

Geometry. Pseudocell refinement. Distances are inaccurate.

Refinement. Pseudocell refinement. Correct structure is in P1-bar rather than B1-bar.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Si	0.12273 (11)	0.23329 (5)	0.18179 (5)	0.0618 (3)
C01	−0.1617 (3)	0.31342 (15)	0.11584 (13)	0.0432 (5)
C02	−0.1788 (3)	0.29328 (18)	0.04690 (14)	0.0521 (6)
C03	−0.2387 (4)	0.3593 (2)	−0.00598 (19)	0.0770 (10)
H03	−0.2450	0.3509	−0.0547	0.092*
C04	−0.2880 (4)	0.4366 (2)	0.0156 (3)	0.0865 (12)
H04	−0.3153	0.4817	−0.0207	0.104*
C05	−0.2986 (4)	0.4500 (2)	0.0878 (3)	0.0847 (12)
H05	−0.3442	0.5014	0.1012	0.102*
C06	−0.2397 (4)	0.38508 (17)	0.14151 (18)	0.0621 (8)
C07	−0.2746 (5)	0.3603 (2)	0.2216 (2)	0.0836 (12)
C08	−0.3586 (8)	0.4055 (3)	0.2753 (3)	0.142 (3)
H08	−0.3887	0.4628	0.2633	0.171*
C09	−0.3967 (10)	0.3652 (4)	0.3457 (3)	0.188 (4)
H09	−0.4510	0.3955	0.3820	0.225*
C10	−0.3565 (10)	0.2814 (4)	0.3635 (3)	0.172 (3)
H10	−0.3887	0.2549	0.4113	0.207*
C11	−0.2679 (8)	0.2340 (3)	0.31171 (19)	0.1179 (19)
H11	−0.2391	0.1768	0.3251	0.141*
C12	−0.2235 (5)	0.27349 (19)	0.24023 (16)	0.0741 (10)
C13	−0.1218 (3)	0.24168 (14)	0.17312 (13)	0.0459 (6)
C14	−0.1520 (3)	0.16968 (15)	0.13338 (14)	0.0472 (6)
C15	−0.1536 (4)	0.08468 (18)	0.15796 (19)	0.0682 (8)
H15	−0.1409	0.0631	0.2075	0.082*
C16	−0.1747 (5)	0.0315 (2)	0.1072 (3)	0.0860 (11)
H16	−0.1794	−0.0258	0.1236	0.103*
C17	−0.1886 (5)	0.0620 (3)	0.0339 (3)	0.0899 (12)
H17	−0.2004	0.0251	0.0011	0.108*
C18	−0.1854 (5)	0.1465 (3)	0.0080 (2)	0.0795 (10)
H18	−0.1949	0.1667	−0.0421	0.095*
C19	−0.1678 (3)	0.20124 (18)	0.05730 (15)	0.0525 (6)
C20	0.1934 (7)	0.1312 (2)	0.2429 (3)	0.1187 (19)
H20	0.1840	0.0863	0.2138	0.142*
C21	0.1013 (10)	0.1046 (3)	0.3176 (3)	0.170 (3)
H21A	−0.0167	0.1047	0.3125	0.255*
H21B	0.1166	0.1430	0.3508	0.255*
H21C	0.1448	0.0490	0.3374	0.255*
C22	0.3829 (9)	0.1307 (3)	0.2501 (5)	0.199 (4)
H22A	0.4410	0.1477	0.2020	0.298*
H22B	0.4265	0.0750	0.2697	0.298*
H22C	0.3995	0.1690	0.2832	0.298*
C23	0.2336 (4)	0.2281 (2)	0.0854 (2)	0.0827 (12)	0.813 (6)
H23	0.1568	0.2605	0.0512	0.099*	0.813 (6)
C23X	0.2336 (4)	0.2281 (2)	0.0854 (2)	0.0827 (12)	0.19
H23X	0.3474	0.2278	0.1003	0.099*	0.187 (6)
C24	0.2623 (5)	0.1404 (3)	0.0618 (3)	0.1151 (17)
H24A	0.1598	0.1130	0.0730	0.173*
H24B	0.3494	0.1077	0.0883	0.173*
H24C	0.2957	0.1458	0.0092	0.173*
C25	0.3970 (6)	0.2685 (4)	0.0670 (5)	0.147 (3)	0.813 (6)
H25A	0.3830	0.3234	0.0817	0.220*	0.813 (6)
H25B	0.4291	0.2733	0.0144	0.220*	0.813 (6)
H25C	0.4832	0.2346	0.0933	0.220*	0.813 (6)
C25X	0.237 (3)	0.3145 (9)	0.0342 (11)	0.094 (7)*	0.187 (6)
H25D	0.2183	0.3588	0.0642	0.141*	0.187 (6)
H25E	0.1502	0.3202	0.0012	0.141*	0.187 (6)
H25F	0.3450	0.3179	0.0056	0.141*	0.187 (6)
C26	0.1825 (6)	0.3281 (2)	0.2188 (2)	0.0928 (14)	0.813 (6)
H26	0.3056	0.3188	0.2172	0.111*	0.813 (6)
C26X	0.1825 (6)	0.3281 (2)	0.2188 (2)	0.0928 (14)	0.19
H26X	0.1007	0.3709	0.1958	0.111*	0.187 (6)
C27	0.1273 (10)	0.3345 (3)	0.3009 (3)	0.151 (3)
H27A	0.1471	0.2805	0.3305	0.227*
H27B	0.0094	0.3529	0.3067	0.227*
H27C	0.1909	0.3743	0.3169	0.227*
C28	0.1553 (6)	0.4106 (2)	0.1685 (3)	0.0869 (15)	0.813 (6)
H28A	0.1915	0.4032	0.1179	0.130*	0.813 (6)
H28B	0.2194	0.4514	0.1828	0.130*	0.813 (6)
H28C	0.0377	0.4300	0.1727	0.130*	0.813 (6)
C28X	0.345 (2)	0.3717 (16)	0.1916 (14)	0.110 (8)*	0.187 (6)
H28D	0.3755	0.3674	0.1400	0.165*	0.187 (6)
H28E	0.4342	0.3451	0.2202	0.165*	0.187 (6)
H28F	0.3260	0.4299	0.1977	0.165*	0.187 (6)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Si	0.0720 (6)	0.0409 (4)	0.0775 (6)	−0.0050 (3)	−0.0413 (4)	0.0001 (3)
C01	0.0333 (11)	0.0445 (13)	0.0489 (13)	−0.0050 (9)	0.0030 (9)	−0.0027 (10)
C02	0.0409 (13)	0.0654 (16)	0.0493 (14)	−0.0058 (11)	−0.0087 (10)	−0.0027 (12)
C03	0.069 (2)	0.092 (3)	0.0679 (19)	−0.0135 (18)	−0.0252 (16)	0.0132 (17)
C04	0.061 (2)	0.075 (2)	0.111 (3)	0.0001 (16)	−0.020 (2)	0.027 (2)
C05	0.0568 (18)	0.0440 (16)	0.140 (4)	0.0032 (13)	0.012 (2)	0.0073 (19)
C06	0.0552 (16)	0.0439 (14)	0.082 (2)	−0.0070 (12)	0.0164 (14)	−0.0090 (13)
C07	0.108 (3)	0.0547 (18)	0.085 (2)	−0.0259 (17)	0.049 (2)	−0.0300 (16)
C08	0.192 (5)	0.082 (3)	0.148 (4)	−0.053 (3)	0.109 (4)	−0.064 (3)
C09	0.299 (9)	0.132 (5)	0.135 (4)	−0.109 (5)	0.144 (6)	−0.088 (4)
C10	0.301 (9)	0.142 (5)	0.078 (3)	−0.118 (5)	0.104 (4)	−0.053 (3)
C11	0.213 (5)	0.090 (3)	0.0535 (19)	−0.074 (3)	0.040 (3)	−0.0179 (18)
C12	0.116 (3)	0.0576 (17)	0.0494 (16)	−0.0367 (17)	0.0277 (16)	−0.0177 (13)
C13	0.0602 (15)	0.0388 (12)	0.0389 (12)	−0.0105 (10)	−0.0003 (10)	−0.0054 (10)
C14	0.0431 (13)	0.0468 (13)	0.0539 (14)	−0.0070 (10)	−0.0027 (10)	−0.0140 (11)
C15	0.081 (2)	0.0463 (15)	0.080 (2)	−0.0140 (14)	−0.0111 (16)	−0.0120 (14)
C16	0.084 (2)	0.0551 (18)	0.129 (3)	−0.0160 (16)	−0.011 (2)	−0.037 (2)
C17	0.085 (2)	0.093 (3)	0.110 (3)	−0.014 (2)	−0.015 (2)	−0.060 (2)
C18	0.081 (2)	0.097 (3)	0.073 (2)	−0.0135 (19)	−0.0179 (17)	−0.0389 (19)
C19	0.0402 (13)	0.0670 (17)	0.0546 (15)	−0.0052 (11)	−0.0074 (11)	−0.0192 (12)
C20	0.156 (4)	0.056 (2)	0.156 (4)	−0.006 (2)	−0.110 (4)	0.011 (2)
C21	0.307 (9)	0.080 (3)	0.130 (4)	−0.031 (4)	−0.126 (5)	0.048 (3)
C22	0.186 (6)	0.091 (3)	0.340 (10)	0.009 (4)	−0.207 (7)	0.022 (5)
C23	0.0534 (18)	0.065 (2)	0.126 (3)	0.0061 (14)	0.0040 (18)	−0.0175 (19)
C23X	0.0534 (18)	0.065 (2)	0.126 (3)	0.0061 (14)	0.0040 (18)	−0.0175 (19)
C24	0.072 (2)	0.091 (3)	0.185 (5)	0.007 (2)	0.013 (3)	−0.057 (3)
C25	0.050 (3)	0.098 (4)	0.296 (10)	−0.021 (3)	0.027 (4)	−0.062 (5)
C26	0.118 (3)	0.065 (2)	0.111 (3)	−0.030 (2)	−0.069 (3)	−0.0051 (19)
C26X	0.118 (3)	0.065 (2)	0.111 (3)	−0.030 (2)	−0.069 (3)	−0.0051 (19)
C27	0.278 (8)	0.101 (3)	0.103 (3)	−0.054 (4)	−0.100 (4)	−0.019 (3)
C28	0.103 (3)	0.046 (2)	0.121 (4)	−0.016 (2)	−0.043 (3)	−0.012 (2)

Geometric parameters (Å, º)

Si—C13	1.973 (3)	C08—H08	0.93
Si—C20	1.912 (4)	C09—H09	0.93
Si—C23	1.890 (4)	C10—H10	0.93
Si—C26	1.895 (3)	C11—H11	0.93
C01—C02	1.376 (4)	C15—H15	0.93
C01—C06	1.382 (4)	C16—H16	0.93
C01—C13	1.468 (3)	C17—H17	0.93
C02—C03	1.405 (4)	C18—H18	0.93
C02—C19	1.465 (4)	C20—H20	0.98
C03—C04	1.377 (6)	C21—H21A	0.96
C04—C05	1.363 (6)	C21—H21B	0.96
C05—C06	1.401 (5)	C21—H21C	0.96
C06—C07	1.457 (5)	C22—H22A	0.96
C07—C08	1.389 (5)	C22—H22B	0.96
C07—C12	1.419 (5)	C22—H22C	0.96
C08—C09	1.362 (7)	C23—H23	0.98
C09—C10	1.355 (9)	C24—H24A	0.96
C10—C11	1.399 (7)	C24—H24B	0.96
C11—C12	1.384 (4)	C24—H24C	0.96
C12—C13	1.524 (4)	C25—H25A	0.96
C13—C14	1.520 (3)	C25—H25B	0.96
C14—C15	1.377 (4)	C25—H25C	0.96
C14—C19	1.418 (4)	C25X—H25D	0.96
C15—C16	1.397 (5)	C25X—H25E	0.96
C16—C17	1.363 (6)	C25X—H25F	0.96
C17—C18	1.374 (6)	C26—H26	0.98
C18—C19	1.388 (4)	C27—H27A	0.96
C20—C21	1.497 (9)	C27—H27B	0.96
C20—C22	1.538 (8)	C27—H27C	0.96
C23—C24	1.535 (5)	C28—H28A	0.96
C23—C25	1.504 (5)	C28—H28B	0.96
C26—C27	1.533 (7)	C28—H28C	0.96
C26—C28	1.506 (5)	C28X—H28D	0.96
C03—H03	0.93	C28X—H28E	0.96
C04—H04	0.93	C28X—H28F	0.96
C05—H05	0.93
C13—Si—C20	111.2 (2)	C09—C10—H10	119.2
C13—Si—C23	107.2 (1)	C11—C10—H10	119.2
C13—Si—C26	110.8 (2)	C10—C11—H11	120.5
C20—Si—C23	106.6 (2)	C12—C11—H11	120.5
C20—Si—C26	111.0 (2)	C14—C15—H15	120.6
C23—Si—C26	110.0 (2)	C16—C15—H15	120.6
C02—C01—C06	123.7 (3)	C15—C16—H16	119.4
C02—C01—C13	115.3 (2)	C17—C16—H16	119.4
C06—C01—C13	116.0 (2)	C16—C17—H17	119.5
C01—C02—C03	116.3 (3)	C18—C17—H17	119.5
C01—C02—C19	105.1 (2)	C17—C18—H18	120.4
C03—C02—C19	136.3 (3)	C19—C18—H18	120.4
C02—C03—C04	118.9 (3)	Si—C20—H20	105.4
C03—C04—C05	122.9 (3)	C21—C20—H20	105.4
C04—C05—C06	118.8 (3)	C22—C20—H20	105.4
C01—C06—C05	116.6 (3)	C20—C21—H21A	109.5
C01—C06—C07	104.7 (2)	C20—C21—H21B	109.5
C05—C06—C07	136.3 (3)	C20—C21—H21C	109.5
C06—C07—C08	130.1 (4)	C20—C22—H22A	109.5
C06—C07—C12	109.1 (2)	C20—C22—H22B	109.5
C08—C07—C12	120.5 (4)	C20—C22—H22C	109.5
C07—C08—C09	119.4 (5)	Si—C23—H23	105.2
C08—C09—C10	120.9 (4)	C24—C23—H23	105.2
C09—C10—C11	121.6 (4)	C25—C23—H23	105.2
C10—C11—C12	118.9 (5)	C23—C24—H24A	109.5
C07—C12—C11	118.6 (3)	C23—C24—H24B	109.5
C07—C12—C13	109.4 (2)	C23—C24—H24C	109.5
C11—C12—C13	132.0 (3)	C23—C25—H25A	109.5
Si—C13—C01	108.1 (2)	C23—C25—H25B	109.5
Si—C13—C12	111.7 (2)	C23—C25—H25C	109.5
Si—C13—C14	106.3 (2)	Si—C26—H26	103.2
C01—C13—C12	98.9 (2)	C27—C26—H26	103.2
C01—C13—C14	100.0 (2)	C28—C26—H26	103.2
C12—C13—C14	129.2 (2)	C26—C27—H27A	109.5
C13—C14—C15	131.2 (3)	C26—C27—H27B	109.5
C13—C14—C19	108.9 (2)	C26—C27—H27C	109.5
C15—C14—C19	119.8 (3)	C26—C28—H28A	109.5
C14—C15—C16	118.8 (3)	C26—C28—H28B	109.5
C15—C16—C17	121.2 (3)	C26—C28—H28C	109.5
C16—C17—C18	120.9 (3)	H21A—C21—H21B	109.5
C17—C18—C19	119.3 (3)	H21A—C21—H21C	109.5
C02—C19—C14	109.1 (2)	H21B—C21—H21C	109.5
C02—C19—C18	130.6 (3)	H22A—C22—H22B	109.5
C14—C19—C18	119.9 (3)	H22A—C22—H22C	109.5
Si—C20—C21	121.0 (4)	H22B—C22—H22C	109.5
Si—C20—C22	108.4 (3)	H24A—C24—H24B	109.5
C21—C20—C22	110.1 (5)	H24A—C24—H24C	109.5
Si—C23—C24	116.0 (3)	H24B—C24—H24C	109.5
Si—C23—C25	116.6 (4)	H25A—C25—H25B	109.5
C24—C23—C25	107.6 (3)	H25A—C25—H25C	109.5
Si—C26—C27	117.2 (3)	H25B—C25—H25C	109.5
Si—C26—C28	115.0 (2)	H25D—C25X—H25E	109.5
C27—C26—C28	112.7 (4)	H25D—C25X—H25F	109.5
C02—C03—H03	120.6	H25E—C25X—H25F	109.5
C04—C03—H03	120.6	H27A—C27—H27B	109.5
C03—C04—H04	118.5	H27A—C27—H27C	109.5
C05—C04—H04	118.5	H27B—C27—H27C	109.5
C04—C05—H05	120.6	H28A—C28—H28B	109.5
C06—C05—H05	120.6	H28A—C28—H28C	109.5
C07—C08—H08	120.3	H28B—C28—H28C	109.5
C09—C08—H08	120.3	H28D—C28X—H28E	109.5
C08—C09—H09	119.6	H28D—C28X—H28F	109.5
C10—C09—H09	119.6	H28E—C28X—H28F	109.5