1,2,3-Trimethoxy-5,11-dihydro­indolo[1,2-b]isoquinoline-5,11-dione

The title compound, C₁₅H₁₉NO₅, crystallizes in the monoclinic space group P2₁/c with four mol­ecules in the asymmetric unit, which differ from each other in the orientation of their methoxy groups. Of the three methoxy groups in each molecule, one lies close to the plane of the mol­ecule and the other two have an out-of-plane conformation where they point in opposite directions. In the crystal structure, four different types of π-stacks are observed and the mol­ecules pack in two different types of stacking sheets, with alternating mol­ecules A and B in one ribbon and alternating mol­ecules C and D in the other. The supramolecular structure is supported by C—H...O and π–π inter­actions.

S1. Comment

The structure determination of the title compound, (III), was undertaken as part of our investigations of the crystal packing and hydrogen-bonding network of substituted indole derivatives. Previous synthetic work in our laboratory has reported the formation of benzocarbazoloquinone from compound (I) by alkali followed by polyphosphoric acid treatment in air (Rajeswaran & Srinivasan, 1994) (see scheme). Crystal structure analysis of this product indicated that it is not compound (II) but is the isomeric ketolactam, (III), which arises by the air-oxidation of the indole 3-carbon as well as of the indole 2-carbon and the side-chain methylene unit. The title compound is useful as a key precursor for the synthesis of analogues of the kinamycin group of antibiotics (Sullivan et al., 1992; Sato et al., 1985; Sato & Gould, 1985). Pyrroloisoquinoline exhibits pharmaceutical activities, such as antileukemic (Anderson et al., 1998), muscarinic agonistic (Loesel et al., 1998) and antidepressant (Elwan et al., 1996).

The title compound contains four molecules in the asymmetric unit, designated A, B, C and D. Fig. 1 shows a displacement ellipsoid plot of two symmetry-independent molecules (A and C) of the asymmetric unit. The four rings of the molecule lie in a plane and the dihedral angles between the isoquinoline and indole moieties are 4.9 (1), 1.6 (1), 3.2 (1) and 4.4 (1)° for molecules A, B, C and D, respectively. The corresponding bond lengths and angles in all four molecules show that there are no significant differences, except those at the methoxy groups. The methyl group bonded to atom O4A is disordered over two positions, with an occupancy ratio of 0.59 (4):0.41 (4). The orientations of the three methoxy groups on the phenyl ring are consistent with minimum steric interactions. Of the three methoxy groups, one group at C4 lies close to the plane of the molecule [C17—O3—C4—C3 torsion angles are −4.5 (4), −2.5 (4), 2.9 (4) and 11.0 (4)° for molecules A, B, C and D, respectively], while other two at C5 and C6 have an out-of-plane conformation where they point in opposite directions. Furthermore, the methoxy groups at C5 in molecules A and B point in the same direction, but this is opposite to what is observed in molecules C and D [C18—O4—C5—C6 torsion angles are −70.4 (10), −105 (2), −69.3 (3), 88.5 (4) and 86.3 (3)° for molecules A (major and minor component), B, C and D, respectively]. At C6 in molecules A and B, the methoxy group points in the same direction, but it points in the opposite direction in molecules C and D [C19—O5—C6—C5 torsion angles are −73.6 (3), −64.1 (3), 55.0 (4) and 62.0 (3)°, for molecules A, B, C and D, respectively].

The centroids of the four rings of the molecules are Cg1 (N1/C9–C11/C16), Cg2 (N1/C1/C2/C7–C9), Cg3 (C2–C7) and Cg4 (C11–C16). In the crystal structure, molecules A and B^viii, B and A^ix, C and Dⁱⁱ, and D and C^x are linked by C—H···O hydrogen bonds to form dimeric pairs (see Table 2 for symmetry codes). These pairs are further reinforced by stacking interactions. Adjacent pairs, translated along the b direction, are linked by C—H···O and stacking interactions. Thus, these molecules pack in two types of stacking ribbons involving four different types of π-stacks, with molecules A and B alternating in one ribbon (stack AB) [(a) AB^viii and the equivalent BA^ix; (b) AB^vi and the equivalent BA^vii], and molecules C and D alternating in the other ribbon (stack CD) [(c) CD; (d) CDⁱⁱ and the equivalent DC^x]. In stack AB, the centroids Cg1 A and Cg1B^viii and Cg2 A and Cg2B^viii, and the equivalent pairs Cg1B and Cg1 A^ix and Cg2B and Cg2 A^ix, are separated by 3.574 (2) and 3.621 (1) Å, respectively. The centroids Cg2 A and Cg2B^vi and the equivalent pair Cg2B and Cg2 A^vii are separated by 3.723 (1) Å. In stack CD, the centroids Cg2 C and Cg2D are separated by 3.599 (1) Å. Centroids Cg2 C and Cg2Dⁱⁱ and the equivalent pair Cg2D and Cg2C^x are separated by 3.715 (1) Å. The ribbons propagate along the b direction and adjacent ribbons are interlinked by C—H···O interactions, resulting in a molecular sheet (Fig. 2). Thus, the supramolecular structure is supported by C—H···O and π–π interactions (Table 2). Fig. 3 shows the molecular packing along the b axis.

S2. Experimental

2-Methyl-3-phenylthioindole was converted into the title compound, (III), via an oxidative cyclization by air during the application of polyphosphoric acid. [Please give grief details of quantities used] This work unambiguously supports the isomeric structure (III) (see scheme), instead of structure (II) as proposed in the original work (Rajeswaran & Srinivasan, 1994).

S3. Refinement

H atoms were fixed geometrically and treated as riding on their parent C atoms, with aromatic C—H = 0.93 Å and methyl C—H = 0.96 Å, and with U_iso(H) = 1.2U_eq(C), or 1.5U_eq(C_methyl). [Please check added text] The methyl group bonded at O4A was disordered and the occupancy factors of the two positions were refined, with their sum constrained to unity [C18A = 0.59 (4) and C18E = 0.41 (4)].

Computing details

Data collection: SMART (Siemens, 1996); cell refinement: SAINT (Siemens, 1996); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ZORTEP (Zsolnai, 1997) and PLATON (Spek, 2003); software used to prepare material for publication: SHELXL97 and PARST (Nardelli, 1995).

Figures

	Fig. 1. The asymmetric unit of (III), with the two crystallographically independent molecules, A and C, drawn with displacement ellipsoids at the 35% probability level. The minor disordered component of methyl (C18E) is also shown.
	Fig. 2. Part of the crystal structure of (III), showing the formation of ribbons running along the b direction. H atoms not involved in the interactions have been omitted for clarity. Symmetry-independent molecules A–D are also marked.
	Fig. 3. The molecular packing of (III), viewed along the b axis.

1,2,3-Trimethoxy-5,11-dihydroindolo[1,2-b]isoquinoline-5,11-dione

Crystal data

C19H15NO5	F(000) = 2816
Mr = 337.32	Dx = 1.401 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
a = 20.8934 (4) Å	Cell parameters from 7530 reflections
b = 14.2400 (3) Å	θ = 1.1–28.4°
c = 22.8886 (4) Å	µ = 0.10 mm^−1
β = 110.014 (1)°	T = 293 K
V = 6398.6 (2) Å^3	Slab, yellow
Z = 16	0.44 × 0.34 × 0.20 mm

Data collection

Siemens SMART CCD area-detector diffractometer	15541 independent reflections
Radiation source: fine-focus sealed tube	7962 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.048
ω scans	θmax = 28.3°, θmin = 1.0°
Absorption correction: multi-scan (SADABS; Siemens, 1996)	h = −27→24
Tmin = 0.739, Tmax = 0.980	k = −19→18
40492 measured reflections	l = −30→30

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)] = 0.068	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.210	H-atom parameters constrained
S = 1.09	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
15541 reflections	(Δ/σ)max < 0.001
924 parameters	Δρmax = 0.19 e Å^−3
0 restraints	Δρmin = −0.18 e Å^−3

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
O1A	0.20487 (9)	0.11398 (15)	0.36912 (9)	0.0745 (6)
O2A	−0.08839 (8)	0.13022 (15)	0.29829 (8)	0.0703 (5)
O3A	−0.17597 (10)	0.11527 (15)	0.06190 (8)	0.0766 (6)
O4A	−0.06484 (11)	0.10323 (14)	0.02963 (8)	0.0766 (6)
O5A	0.06517 (10)	0.12089 (13)	0.11984 (8)	0.0687 (5)
N1A	0.02670 (9)	0.12392 (13)	0.32419 (8)	0.0465 (4)
C1A	−0.03875 (11)	0.12796 (17)	0.28176 (11)	0.0494 (6)
C2A	−0.04291 (11)	0.12628 (16)	0.21608 (11)	0.0473 (5)
C3A	−0.10757 (12)	0.12461 (17)	0.17094 (11)	0.0543 (6)
H3A	−0.1459	0.1275	0.1827	0.065*
C4A	−0.11494 (13)	0.11868 (18)	0.10902 (11)	0.0572 (6)
C5A	−0.05638 (14)	0.11579 (18)	0.09113 (12)	0.0582 (6)
C6A	0.00764 (13)	0.11917 (17)	0.13587 (12)	0.0546 (6)
C7A	0.01613 (12)	0.12376 (16)	0.19986 (11)	0.0493 (6)
C8A	0.08117 (12)	0.12266 (17)	0.24735 (11)	0.0518 (6)
H8A	0.1205	0.1223	0.2370	0.062*
C9A	0.08563 (11)	0.12210 (16)	0.30760 (11)	0.0470 (5)
C10A	0.14522 (12)	0.11751 (18)	0.36534 (12)	0.0534 (6)
C11A	0.11662 (12)	0.11534 (18)	0.41585 (11)	0.0534 (6)
C12A	0.14827 (14)	0.1077 (2)	0.47989 (12)	0.0643 (7)
H12A	0.1955	0.1054	0.4976	0.077*
C13A	0.10791 (15)	0.1036 (2)	0.51642 (13)	0.0706 (8)
H13A	0.1280	0.0981	0.5593	0.085*
C14A	0.03808 (15)	0.1077 (2)	0.49003 (12)	0.0674 (8)
H14A	0.0120	0.1046	0.5158	0.081*
C15A	0.00534 (13)	0.11614 (19)	0.42660 (12)	0.0594 (7)
H15A	−0.0419	0.1196	0.4093	0.071*
C16A	0.04595 (12)	0.11925 (17)	0.39016 (11)	0.0492 (6)
C17A	−0.23582 (15)	0.1111 (3)	0.07846 (14)	0.0858 (10)
H17A	−0.2340	0.0565	0.1035	0.129*
H17B	−0.2753	0.1077	0.0414	0.129*
H17C	−0.2385	0.1664	0.1016	0.129*
C18A	−0.0452 (12)	0.1818 (8)	−0.0006 (7)	0.083 (3)	0.59 (4)
H18A	−0.0657	0.2382	0.0076	0.125*	0.59 (4)
H18B	−0.0602	0.1709	−0.0447	0.125*	0.59 (4)
H18C	0.0035	0.1883	0.0151	0.125*	0.59 (4)
C18E	−0.084 (2)	0.1783 (12)	−0.0112 (8)	0.091 (6)	0.41 (4)
H18D	−0.1249	0.2058	−0.0090	0.137*	0.41 (4)
H18E	−0.0917	0.1566	−0.0528	0.137*	0.41 (4)
H18F	−0.0482	0.2245	−0.0002	0.137*	0.41 (4)
C19A	0.08242 (16)	0.0339 (2)	0.09762 (14)	0.0839 (9)
H19A	0.0823	−0.0155	0.1261	0.126*
H19B	0.1269	0.0388	0.0943	0.126*
H19C	0.0496	0.0201	0.0575	0.126*
O1B	0.10289 (11)	0.87765 (15)	0.46197 (9)	0.0818 (6)
O2B	0.08786 (9)	0.86859 (15)	0.20473 (9)	0.0754 (6)
O3B	−0.16743 (9)	0.87358 (15)	0.08001 (9)	0.0733 (5)
O4B	−0.22916 (9)	0.88321 (14)	0.16219 (9)	0.0712 (5)
O5B	−0.15264 (9)	0.87851 (13)	0.29161 (9)	0.0667 (5)
N1B	0.09161 (10)	0.87218 (14)	0.30544 (9)	0.0533 (5)
C1B	0.05710 (13)	0.87006 (18)	0.24187 (12)	0.0562 (6)
C2B	−0.01780 (12)	0.87157 (16)	0.22310 (11)	0.0494 (6)
C3B	−0.05548 (13)	0.87108 (17)	0.16036 (12)	0.0558 (6)
H3B	−0.0333	0.8688	0.1314	0.067*
C4B	−0.12549 (13)	0.87399 (18)	0.14023 (12)	0.0570 (6)
C5B	−0.15952 (13)	0.87747 (18)	0.18426 (13)	0.0566 (6)
C6B	−0.12193 (13)	0.87831 (17)	0.24705 (12)	0.0548 (6)
C7B	−0.05012 (12)	0.87470 (16)	0.26822 (11)	0.0499 (6)
C8B	−0.00961 (13)	0.87542 (17)	0.33256 (12)	0.0549 (6)
H8B	−0.0304	0.8766	0.3626	0.066*
C9B	0.05833 (13)	0.87446 (17)	0.34972 (11)	0.0541 (6)
C10B	0.11230 (14)	0.87639 (19)	0.41221 (13)	0.0632 (7)
C11B	0.17712 (14)	0.8763 (2)	0.40030 (13)	0.0660 (7)
C12B	0.24382 (16)	0.8790 (2)	0.44110 (15)	0.0854 (9)
H12B	0.2531	0.8827	0.4838	0.103*
C13B	0.29571 (16)	0.8760 (3)	0.41734 (17)	0.0902 (10)
H13B	0.3407	0.8770	0.4440	0.108*
C14B	0.28128 (15)	0.8716 (2)	0.35387 (17)	0.0825 (9)
H14B	0.3173	0.8691	0.3387	0.099*
C15B	0.21531 (14)	0.8707 (2)	0.31189 (15)	0.0699 (8)
H15B	0.2065	0.8690	0.2692	0.084*
C16B	0.16297 (13)	0.87248 (18)	0.33625 (13)	0.0590 (6)
C17B	−0.13667 (15)	0.8737 (2)	0.03331 (13)	0.0757 (8)
H17D	−0.1106	0.9301	0.0365	0.113*
H17E	−0.1715	0.8708	−0.0070	0.113*
H17F	−0.1072	0.8202	0.0389	0.113*
C18B	−0.26519 (15)	0.8038 (2)	0.17292 (16)	0.0839 (9)
H18G	−0.2601	0.7521	0.1479	0.126*
H18H	−0.3126	0.8192	0.1620	0.126*
H18I	−0.2471	0.7867	0.2161	0.126*
C19B	−0.19288 (16)	0.9596 (2)	0.29289 (15)	0.0818 (9)
H19D	−0.1638	1.0136	0.3048	0.123*
H19E	−0.2156	0.9498	0.3224	0.123*
H19F	−0.2261	0.9695	0.2524	0.123*
O1C	0.29171 (9)	0.42247 (16)	0.10131 (10)	0.0830 (6)
O2C	0.58567 (8)	0.40921 (15)	0.18602 (8)	0.0714 (5)
O3C	0.65988 (10)	0.41833 (15)	0.42171 (9)	0.0787 (6)
O4C	0.54598 (12)	0.42306 (15)	0.44843 (9)	0.0851 (6)
O5C	0.41769 (11)	0.41359 (16)	0.35125 (10)	0.0865 (7)
N1C	0.46995 (9)	0.40700 (14)	0.15461 (9)	0.0503 (5)
C1C	0.53378 (12)	0.40949 (17)	0.19955 (11)	0.0508 (6)
C2C	0.53425 (12)	0.41257 (16)	0.26403 (11)	0.0492 (6)
C3C	0.59712 (13)	0.41341 (17)	0.31123 (12)	0.0558 (6)
H3C	0.6368	0.4117	0.3015	0.067*
C4C	0.60097 (14)	0.41678 (18)	0.37232 (12)	0.0622 (7)
C5C	0.54062 (15)	0.41797 (19)	0.38715 (12)	0.0642 (7)
C6C	0.47758 (14)	0.41768 (19)	0.34011 (13)	0.0618 (7)
C7C	0.47325 (12)	0.41548 (17)	0.27708 (12)	0.0533 (6)
C8C	0.40989 (12)	0.41716 (17)	0.22630 (12)	0.0565 (6)
H8C	0.3691	0.4210	0.2341	0.068*
C9C	0.40914 (12)	0.41328 (17)	0.16793 (12)	0.0536 (6)
C10C	0.35164 (13)	0.41473 (19)	0.10763 (13)	0.0604 (7)
C11C	0.38416 (13)	0.40563 (18)	0.06013 (12)	0.0594 (7)
C12C	0.35566 (15)	0.4010 (2)	−0.00439 (13)	0.0724 (8)
H12C	0.3087	0.4040	−0.0242	0.087*
C13C	0.39882 (16)	0.3919 (2)	−0.03824 (14)	0.0770 (8)
H13C	0.3809	0.3893	−0.0814	0.092*
C14C	0.46828 (16)	0.3865 (2)	−0.00830 (14)	0.0733 (8)
H14C	0.4963	0.3800	−0.0320	0.088*
C15C	0.49780 (14)	0.39063 (19)	0.05578 (13)	0.0636 (7)
H15C	0.5447	0.3869	0.0754	0.076*
C16C	0.45442 (12)	0.40052 (17)	0.08920 (11)	0.0520 (6)
C17C	0.72249 (15)	0.4208 (2)	0.40914 (14)	0.0817 (9)
H17G	0.7265	0.3649	0.3872	0.122*
H17H	0.7601	0.4244	0.4476	0.122*
H17I	0.7229	0.4749	0.3842	0.122*
C18C	0.5450 (3)	0.3354 (3)	0.47756 (17)	0.1292 (16)
H18J	0.5044	0.3017	0.4545	0.194*
H18K	0.5457	0.3458	0.5192	0.194*
H18L	0.5843	0.2994	0.4787	0.194*
C19C	0.40427 (19)	0.4814 (3)	0.39083 (18)	0.1070 (12)
H19G	0.4246	0.4617	0.4333	0.160*
H19H	0.3559	0.4876	0.3808	0.160*
H19I	0.4232	0.5407	0.3852	0.160*
O1D	0.60310 (11)	0.14356 (17)	0.41800 (9)	0.0883 (7)
O2D	0.56043 (9)	0.18428 (15)	0.15597 (9)	0.0732 (5)
O3D	0.30426 (9)	0.15391 (14)	0.04904 (8)	0.0712 (5)
O4D	0.25203 (8)	0.14831 (13)	0.13927 (9)	0.0668 (5)
O5D	0.33783 (9)	0.15645 (13)	0.26516 (8)	0.0674 (5)
N1D	0.57485 (10)	0.17260 (14)	0.25914 (9)	0.0526 (5)
C1D	0.53493 (12)	0.17572 (17)	0.19630 (12)	0.0539 (6)
C2D	0.46117 (12)	0.16808 (16)	0.18417 (11)	0.0487 (6)
C3D	0.41901 (13)	0.16586 (17)	0.12226 (12)	0.0546 (6)
H3D	0.4377	0.1691	0.0908	0.066*
C4D	0.34987 (13)	0.15894 (18)	0.10758 (12)	0.0554 (6)
C5D	0.32138 (11)	0.15636 (17)	0.15554 (12)	0.0513 (6)
C6D	0.36320 (12)	0.15664 (17)	0.21712 (12)	0.0539 (6)
C7D	0.43477 (12)	0.16160 (16)	0.23294 (11)	0.0501 (6)
C8D	0.48068 (13)	0.15793 (18)	0.29582 (11)	0.0556 (6)
H8D	0.4641	0.1528	0.3285	0.067*
C9D	0.54765 (13)	0.16197 (17)	0.30695 (11)	0.0539 (6)
C10D	0.60635 (14)	0.1561 (2)	0.36631 (14)	0.0670 (7)
C11D	0.66810 (13)	0.16628 (19)	0.34881 (13)	0.0634 (7)
C12D	0.73669 (15)	0.1669 (2)	0.38394 (15)	0.0830 (9)
H12D	0.7512	0.1583	0.4268	0.100*
C13D	0.78318 (15)	0.1807 (2)	0.35407 (18)	0.0863 (10)
H13D	0.8295	0.1820	0.3771	0.104*
C14D	0.76187 (14)	0.1924 (2)	0.29116 (17)	0.0798 (9)
H14D	0.7942	0.2018	0.2722	0.096*
C15D	0.69338 (13)	0.1907 (2)	0.25453 (14)	0.0699 (8)
H15D	0.6793	0.1984	0.2116	0.084*
C16D	0.64714 (12)	0.17689 (18)	0.28471 (13)	0.0574 (6)
C17D	0.33166 (15)	0.1389 (2)	0.00053 (13)	0.0811 (9)
H17J	0.3579	0.1927	−0.0027	0.122*
H17K	0.2951	0.1297	−0.0381	0.122*
H17L	0.3604	0.0844	0.0099	0.122*
C18D	0.21675 (14)	0.2319 (2)	0.13715 (17)	0.0917 (10)
H18M	0.2338	0.2624	0.1769	0.138*
H18N	0.1691	0.2187	0.1271	0.138*
H18O	0.2230	0.2723	0.1060	0.138*
C19D	0.29749 (15)	0.0765 (2)	0.26941 (14)	0.0741 (8)
H19J	0.2595	0.0702	0.2314	0.111*
H19K	0.2811	0.0851	0.3034	0.111*
H19L	0.3250	0.0208	0.2762	0.111*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
O1A	0.0409 (10)	0.1109 (16)	0.0744 (13)	−0.0007 (10)	0.0229 (9)	0.0031 (11)
O2A	0.0413 (10)	0.1151 (16)	0.0593 (11)	0.0013 (9)	0.0236 (8)	−0.0093 (10)
O3A	0.0671 (13)	0.0994 (15)	0.0537 (11)	−0.0070 (11)	0.0082 (10)	−0.0070 (10)
O4A	0.1062 (16)	0.0762 (14)	0.0495 (11)	−0.0106 (11)	0.0294 (11)	−0.0074 (9)
O5A	0.0755 (13)	0.0771 (13)	0.0690 (12)	−0.0138 (10)	0.0449 (10)	−0.0113 (9)
N1A	0.0412 (11)	0.0561 (12)	0.0467 (11)	−0.0039 (9)	0.0209 (9)	−0.0045 (9)
C1A	0.0409 (13)	0.0583 (15)	0.0517 (14)	−0.0003 (11)	0.0194 (11)	−0.0032 (11)
C2A	0.0482 (14)	0.0458 (13)	0.0494 (13)	−0.0029 (10)	0.0186 (11)	−0.0048 (10)
C3A	0.0502 (14)	0.0595 (15)	0.0534 (15)	−0.0029 (11)	0.0182 (12)	−0.0061 (11)
C4A	0.0618 (16)	0.0545 (15)	0.0491 (15)	−0.0037 (12)	0.0107 (13)	−0.0029 (11)
C5A	0.0764 (18)	0.0524 (15)	0.0502 (15)	−0.0107 (13)	0.0275 (14)	−0.0079 (11)
C6A	0.0621 (16)	0.0537 (15)	0.0546 (15)	−0.0135 (12)	0.0283 (13)	−0.0088 (11)
C7A	0.0547 (14)	0.0452 (13)	0.0544 (14)	−0.0066 (11)	0.0269 (12)	−0.0077 (10)
C8A	0.0444 (13)	0.0586 (15)	0.0598 (15)	−0.0054 (11)	0.0274 (12)	−0.0036 (12)
C9A	0.0398 (12)	0.0522 (13)	0.0531 (14)	−0.0059 (10)	0.0212 (11)	−0.0033 (11)
C10A	0.0419 (14)	0.0632 (16)	0.0576 (15)	−0.0031 (11)	0.0204 (11)	0.0006 (12)
C11A	0.0488 (14)	0.0591 (15)	0.0537 (15)	−0.0030 (11)	0.0193 (12)	−0.0030 (11)
C12A	0.0511 (15)	0.083 (2)	0.0578 (16)	−0.0043 (13)	0.0173 (13)	−0.0037 (13)
C13A	0.074 (2)	0.090 (2)	0.0458 (15)	−0.0061 (16)	0.0176 (14)	−0.0015 (13)
C14A	0.0723 (19)	0.086 (2)	0.0518 (16)	−0.0066 (15)	0.0318 (14)	−0.0053 (13)
C15A	0.0517 (15)	0.0775 (18)	0.0565 (16)	−0.0044 (13)	0.0281 (12)	−0.0066 (13)
C16A	0.0507 (14)	0.0524 (14)	0.0460 (13)	−0.0055 (11)	0.0185 (11)	−0.0043 (10)
C17A	0.0586 (18)	0.118 (3)	0.0660 (19)	−0.0049 (18)	0.0025 (15)	−0.0060 (18)
C18A	0.117 (8)	0.072 (4)	0.069 (6)	0.005 (6)	0.044 (7)	0.014 (4)
C18E	0.130 (16)	0.075 (6)	0.065 (6)	−0.001 (10)	0.028 (10)	0.001 (5)
C19A	0.102 (2)	0.084 (2)	0.085 (2)	0.0076 (18)	0.0570 (19)	−0.0041 (17)
O1B	0.0890 (15)	0.1031 (16)	0.0609 (12)	−0.0154 (12)	0.0355 (11)	0.0014 (11)
O2B	0.0643 (12)	0.1102 (16)	0.0660 (12)	0.0014 (11)	0.0407 (10)	0.0012 (11)
O3B	0.0627 (12)	0.0985 (15)	0.0629 (12)	0.0014 (10)	0.0270 (10)	0.0100 (10)
O4B	0.0523 (11)	0.0805 (13)	0.0877 (14)	0.0110 (9)	0.0328 (10)	0.0263 (10)
O5B	0.0667 (11)	0.0744 (12)	0.0779 (12)	0.0120 (9)	0.0490 (10)	0.0161 (9)
N1B	0.0544 (13)	0.0568 (12)	0.0577 (13)	−0.0036 (10)	0.0308 (10)	0.0009 (10)
C1B	0.0621 (16)	0.0545 (15)	0.0638 (17)	0.0003 (12)	0.0368 (14)	0.0057 (12)
C2B	0.0554 (14)	0.0457 (13)	0.0554 (15)	0.0019 (11)	0.0295 (12)	0.0048 (11)
C3B	0.0622 (16)	0.0554 (15)	0.0602 (16)	0.0023 (12)	0.0346 (13)	0.0035 (12)
C4B	0.0574 (16)	0.0576 (15)	0.0602 (16)	0.0026 (12)	0.0253 (13)	0.0107 (12)
C5B	0.0528 (15)	0.0545 (15)	0.0702 (18)	0.0072 (12)	0.0309 (13)	0.0138 (12)
C6B	0.0600 (16)	0.0516 (14)	0.0661 (17)	0.0063 (12)	0.0387 (14)	0.0133 (12)
C7B	0.0580 (15)	0.0445 (13)	0.0576 (15)	0.0041 (11)	0.0331 (12)	0.0084 (11)
C8B	0.0614 (16)	0.0549 (15)	0.0609 (16)	−0.0013 (12)	0.0369 (13)	0.0042 (12)
C9B	0.0646 (17)	0.0515 (14)	0.0574 (15)	−0.0048 (12)	0.0351 (13)	0.0028 (11)
C10B	0.0703 (18)	0.0644 (17)	0.0617 (17)	−0.0105 (14)	0.0314 (14)	0.0019 (13)
C11B	0.0630 (18)	0.0729 (18)	0.0665 (18)	−0.0123 (14)	0.0279 (15)	0.0027 (14)
C12B	0.078 (2)	0.108 (3)	0.070 (2)	−0.0219 (19)	0.0253 (17)	0.0040 (18)
C13B	0.062 (2)	0.114 (3)	0.092 (3)	−0.0161 (18)	0.0235 (18)	0.006 (2)
C14B	0.0545 (18)	0.096 (2)	0.105 (3)	−0.0139 (16)	0.0371 (18)	0.0043 (19)
C15B	0.0636 (18)	0.0758 (19)	0.081 (2)	−0.0097 (14)	0.0386 (16)	0.0023 (15)
C16B	0.0575 (16)	0.0558 (16)	0.0699 (17)	−0.0109 (12)	0.0299 (13)	−0.0003 (12)
C17B	0.078 (2)	0.092 (2)	0.0623 (18)	−0.0070 (16)	0.0312 (16)	0.0005 (15)
C18B	0.0655 (18)	0.081 (2)	0.109 (3)	−0.0061 (16)	0.0351 (17)	0.0137 (18)
C19B	0.090 (2)	0.073 (2)	0.104 (2)	0.0093 (17)	0.0621 (19)	−0.0004 (17)
O1C	0.0392 (11)	0.1174 (18)	0.0901 (15)	−0.0032 (10)	0.0190 (10)	−0.0084 (12)
O2C	0.0441 (10)	0.1130 (16)	0.0624 (11)	−0.0047 (10)	0.0248 (9)	−0.0123 (10)
O3C	0.0773 (14)	0.0968 (15)	0.0523 (11)	−0.0160 (11)	0.0096 (10)	0.0012 (10)
O4C	0.1165 (17)	0.0902 (15)	0.0555 (12)	−0.0279 (13)	0.0384 (11)	−0.0158 (10)
O5C	0.0845 (14)	0.1079 (17)	0.0885 (15)	−0.0326 (12)	0.0570 (12)	−0.0337 (12)
N1C	0.0424 (11)	0.0579 (12)	0.0527 (12)	−0.0040 (9)	0.0190 (9)	−0.0048 (9)
C1C	0.0408 (13)	0.0585 (15)	0.0553 (15)	−0.0047 (11)	0.0192 (12)	−0.0062 (11)
C2C	0.0480 (14)	0.0481 (14)	0.0523 (14)	−0.0062 (10)	0.0181 (11)	−0.0055 (10)
C3C	0.0568 (15)	0.0548 (15)	0.0570 (15)	−0.0086 (12)	0.0209 (13)	−0.0045 (11)
C4C	0.0671 (17)	0.0604 (16)	0.0546 (16)	−0.0155 (13)	0.0149 (14)	−0.0046 (12)
C5C	0.083 (2)	0.0590 (16)	0.0575 (17)	−0.0208 (14)	0.0332 (15)	−0.0140 (12)
C6C	0.0665 (18)	0.0645 (17)	0.0645 (17)	−0.0176 (13)	0.0353 (15)	−0.0139 (13)
C7C	0.0551 (15)	0.0508 (14)	0.0613 (16)	−0.0124 (11)	0.0291 (13)	−0.0118 (11)
C8C	0.0440 (14)	0.0633 (16)	0.0689 (17)	−0.0095 (11)	0.0279 (13)	−0.0124 (13)
C9C	0.0411 (13)	0.0574 (15)	0.0662 (17)	−0.0047 (11)	0.0236 (12)	−0.0049 (12)
C10C	0.0454 (15)	0.0642 (17)	0.0684 (17)	−0.0057 (12)	0.0153 (13)	−0.0050 (13)
C11C	0.0519 (16)	0.0618 (17)	0.0632 (17)	−0.0010 (12)	0.0183 (13)	−0.0003 (12)
C12C	0.0626 (18)	0.084 (2)	0.0625 (18)	−0.0021 (15)	0.0103 (15)	0.0043 (15)
C13C	0.081 (2)	0.088 (2)	0.0540 (17)	−0.0039 (17)	0.0135 (16)	0.0063 (15)
C14C	0.080 (2)	0.083 (2)	0.0622 (18)	0.0008 (16)	0.0307 (16)	0.0002 (14)
C15C	0.0574 (16)	0.0763 (19)	0.0607 (17)	−0.0014 (13)	0.0251 (13)	−0.0006 (13)
C16C	0.0507 (15)	0.0537 (15)	0.0501 (14)	−0.0017 (11)	0.0152 (11)	0.0000 (11)
C17C	0.0646 (19)	0.095 (2)	0.0689 (19)	−0.0036 (17)	0.0013 (15)	0.0080 (16)
C18C	0.219 (5)	0.104 (3)	0.077 (2)	−0.013 (3)	0.066 (3)	0.011 (2)
C19C	0.128 (3)	0.100 (3)	0.129 (3)	−0.018 (2)	0.090 (3)	−0.028 (2)
O1D	0.0825 (15)	0.1246 (19)	0.0555 (12)	0.0006 (13)	0.0207 (11)	0.0068 (12)
O2D	0.0591 (11)	0.1063 (16)	0.0641 (12)	−0.0022 (10)	0.0340 (10)	0.0033 (10)
O3D	0.0576 (11)	0.0968 (15)	0.0564 (12)	0.0004 (10)	0.0157 (9)	−0.0031 (10)
O4D	0.0480 (10)	0.0661 (12)	0.0879 (14)	0.0007 (9)	0.0252 (9)	−0.0059 (10)
O5D	0.0650 (11)	0.0809 (13)	0.0706 (12)	−0.0076 (10)	0.0416 (10)	−0.0123 (9)
N1D	0.0449 (11)	0.0579 (13)	0.0591 (13)	0.0031 (9)	0.0231 (10)	0.0013 (9)
C1D	0.0545 (15)	0.0563 (15)	0.0577 (16)	0.0015 (11)	0.0278 (13)	0.0022 (11)
C2D	0.0496 (14)	0.0475 (14)	0.0543 (14)	0.0021 (10)	0.0244 (12)	−0.0013 (10)
C3D	0.0558 (15)	0.0578 (15)	0.0560 (15)	−0.0011 (12)	0.0265 (13)	0.0005 (11)
C4D	0.0519 (15)	0.0587 (16)	0.0555 (15)	0.0015 (12)	0.0183 (12)	−0.0021 (11)
C5D	0.0413 (14)	0.0518 (14)	0.0638 (16)	0.0008 (10)	0.0219 (12)	−0.0019 (11)
C6D	0.0520 (15)	0.0531 (15)	0.0671 (17)	0.0001 (11)	0.0340 (13)	−0.0067 (12)
C7D	0.0539 (15)	0.0483 (14)	0.0549 (15)	0.0020 (11)	0.0273 (12)	−0.0044 (11)
C8D	0.0572 (16)	0.0617 (16)	0.0550 (15)	−0.0011 (12)	0.0284 (13)	−0.0032 (12)
C9D	0.0554 (15)	0.0538 (15)	0.0550 (15)	0.0003 (12)	0.0222 (12)	0.0006 (11)
C10D	0.0674 (18)	0.0710 (18)	0.0621 (18)	0.0030 (14)	0.0213 (15)	0.0020 (14)
C11D	0.0537 (16)	0.0656 (17)	0.0681 (18)	0.0061 (13)	0.0175 (13)	0.0045 (13)
C12D	0.065 (2)	0.101 (2)	0.072 (2)	0.0062 (17)	0.0091 (16)	0.0021 (17)
C13D	0.0500 (17)	0.098 (3)	0.104 (3)	0.0098 (16)	0.0170 (18)	0.000 (2)
C14D	0.0533 (18)	0.085 (2)	0.106 (3)	0.0087 (15)	0.0335 (17)	0.0047 (18)
C15D	0.0474 (16)	0.086 (2)	0.0811 (19)	0.0068 (14)	0.0276 (14)	0.0044 (15)
C16D	0.0461 (14)	0.0552 (16)	0.0700 (18)	0.0044 (11)	0.0189 (13)	0.0018 (12)
C17D	0.075 (2)	0.115 (3)	0.0528 (17)	−0.0090 (18)	0.0215 (15)	−0.0039 (16)
C18D	0.0558 (17)	0.080 (2)	0.135 (3)	0.0128 (16)	0.0277 (18)	−0.012 (2)
C19D	0.0748 (19)	0.077 (2)	0.085 (2)	0.0023 (15)	0.0464 (16)	0.0101 (16)

Geometric parameters (Å, º)

O1A—C10A	1.221 (3)	C19B—H19E	0.9600
O2A—C1A	1.220 (3)	C19B—H19F	0.9600
O3A—C4A	1.360 (3)	O1C—C10C	1.215 (3)
O3A—C17A	1.427 (3)	O2C—C1C	1.225 (3)
O4A—C5A	1.369 (3)	O3C—C4C	1.357 (3)
O4A—C18E	1.386 (17)	O3C—C17C	1.433 (3)
O4A—C18A	1.447 (12)	O4C—C5C	1.370 (3)
O5A—C6A	1.372 (3)	O4C—C18C	1.419 (4)
O5A—C19A	1.431 (3)	O5C—C6C	1.361 (3)
N1A—C1A	1.381 (3)	O5C—C19C	1.416 (4)
N1A—C9A	1.407 (3)	N1C—C1C	1.378 (3)
N1A—C16A	1.425 (3)	N1C—C9C	1.407 (3)
C1A—C2A	1.476 (3)	N1C—C16C	1.422 (3)
C2A—C3A	1.392 (3)	C1C—C2C	1.473 (3)
C2A—C7A	1.405 (3)	C2C—C3C	1.386 (3)
C3A—C4A	1.375 (3)	C2C—C7C	1.406 (3)
C3A—H3A	0.9300	C3C—C4C	1.374 (4)
C4A—C5A	1.418 (4)	C3C—H3C	0.9300
C5A—C6A	1.379 (4)	C4C—C5C	1.414 (4)
C6A—C7A	1.415 (3)	C5C—C6C	1.387 (4)
C7A—C8A	1.420 (3)	C6C—C7C	1.415 (3)
C8A—C9A	1.350 (3)	C7C—C8C	1.432 (4)
C8A—H8A	0.9300	C8C—C9C	1.332 (3)
C9A—C10A	1.475 (3)	C8C—H8C	0.9300
C10A—C11A	1.472 (3)	C9C—C10C	1.488 (4)
C11A—C12A	1.391 (4)	C10C—C11C	1.472 (4)
C11A—C16A	1.391 (3)	C11C—C16C	1.391 (3)
C12A—C13A	1.377 (4)	C11C—C12C	1.392 (4)
C12A—H12A	0.9300	C12C—C13C	1.381 (4)
C13A—C14A	1.376 (4)	C12C—H12C	0.9300
C13A—H13A	0.9300	C13C—C14C	1.379 (4)
C14A—C15A	1.382 (4)	C13C—H13C	0.9300
C14A—H14A	0.9300	C14C—C15C	1.384 (4)
C15A—C16A	1.379 (3)	C14C—H14C	0.9300
C15A—H15A	0.9300	C15C—C16C	1.379 (3)
C17A—H17A	0.9600	C15C—H15C	0.9300
C17A—H17B	0.9600	C17C—H17G	0.9600
C17A—H17C	0.9600	C17C—H17H	0.9600
C18A—H18A	0.9600	C17C—H17I	0.9600
C18A—H18B	0.9600	C18C—H18J	0.9600
C18A—H18C	0.9600	C18C—H18K	0.9600
C18E—H18D	0.9600	C18C—H18L	0.9600
C18E—H18E	0.9600	C19C—H19G	0.9600
C18E—H18F	0.9600	C19C—H19H	0.9600
C19A—H19A	0.9600	C19C—H19I	0.9600
C19A—H19B	0.9600	O1D—C10D	1.221 (3)
C19A—H19C	0.9600	O2D—C1D	1.220 (3)
O1B—C10B	1.220 (3)	O3D—C4D	1.354 (3)
O2B—C1B	1.229 (3)	O3D—C17D	1.429 (3)
O3B—C4B	1.357 (3)	O4D—C5D	1.372 (3)
O3B—C17B	1.423 (3)	O4D—C18D	1.392 (3)
O4B—C5B	1.370 (3)	O5D—C6D	1.374 (3)
O4B—C18B	1.425 (3)	O5D—C19D	1.440 (3)
O5B—C6B	1.378 (3)	N1D—C1D	1.395 (3)
O5B—C19B	1.434 (3)	N1D—C9D	1.403 (3)
N1B—C1B	1.385 (3)	N1D—C16D	1.422 (3)
N1B—C9B	1.412 (3)	C1D—C2D	1.473 (3)
N1B—C16B	1.414 (3)	C2D—C3D	1.389 (3)
C1B—C2B	1.475 (3)	C2D—C7D	1.407 (3)
C2B—C3B	1.381 (3)	C3D—C4D	1.370 (3)
C2B—C7B	1.415 (3)	C3D—H3D	0.9300
C3B—C4B	1.376 (3)	C4D—C5D	1.417 (3)
C3B—H3B	0.9300	C5D—C6D	1.381 (4)
C4B—C5B	1.419 (3)	C6D—C7D	1.415 (3)
C5B—C6B	1.382 (4)	C7D—C8D	1.432 (3)
C6B—C7B	1.411 (3)	C8D—C9D	1.335 (3)
C7B—C8B	1.425 (4)	C8D—H8D	0.9300
C8B—C9B	1.337 (3)	C9D—C10D	1.489 (4)
C8B—H8B	0.9300	C10D—C11D	1.483 (4)
C9B—C10B	1.488 (4)	C11D—C12D	1.383 (4)
C10B—C11B	1.470 (4)	C11D—C16D	1.388 (4)
C11B—C12B	1.387 (4)	C12D—C13D	1.380 (4)
C11B—C16B	1.394 (4)	C12D—H12D	0.9300
C12B—C13B	1.370 (4)	C13D—C14D	1.364 (4)
C12B—H12B	0.9300	C13D—H13D	0.9300
C13B—C14B	1.380 (5)	C14D—C15D	1.389 (4)
C13B—H13B	0.9300	C14D—H14D	0.9300
C14B—C15B	1.384 (4)	C15D—C16D	1.381 (4)
C14B—H14B	0.9300	C15D—H15D	0.9300
C15B—C16B	1.387 (3)	C17D—H17J	0.9600
C15B—H15B	0.9300	C17D—H17K	0.9600
C17B—H17D	0.9600	C17D—H17L	0.9600
C17B—H17E	0.9600	C18D—H18M	0.9600
C17B—H17F	0.9600	C18D—H18N	0.9600
C18B—H18G	0.9600	C18D—H18O	0.9600
C18B—H18H	0.9600	C19D—H19J	0.9600
C18B—H18I	0.9600	C19D—H19K	0.9600
C19B—H19D	0.9600	C19D—H19L	0.9600
C4A—O3A—C17A	117.4 (2)	H19D—C19B—H19F	109.5
C5A—O4A—C18E	120.0 (8)	H19E—C19B—H19F	109.5
C5A—O4A—C18A	115.7 (6)	C4C—O3C—C17C	117.6 (2)
C6A—O5A—C19A	115.5 (2)	C5C—O4C—C18C	115.2 (2)
C1A—N1A—C9A	123.9 (2)	C6C—O5C—C19C	119.1 (2)
C1A—N1A—C16A	126.8 (2)	C1C—N1C—C9C	123.5 (2)
C9A—N1A—C16A	109.2 (2)	C1C—N1C—C16C	127.0 (2)
O2A—C1A—N1A	121.7 (2)	C9C—N1C—C16C	109.6 (2)
O2A—C1A—C2A	123.8 (2)	O2C—C1C—N1C	121.7 (2)
N1A—C1A—C2A	114.5 (2)	O2C—C1C—C2C	123.4 (2)
C3A—C2A—C7A	121.3 (2)	N1C—C1C—C2C	114.9 (2)
C3A—C2A—C1A	117.4 (2)	C3C—C2C—C7C	121.4 (2)
C7A—C2A—C1A	121.2 (2)	C3C—C2C—C1C	117.4 (2)
C4A—C3A—C2A	120.3 (2)	C7C—C2C—C1C	121.2 (2)
C4A—C3A—H3A	119.9	C4C—C3C—C2C	120.2 (2)
C2A—C3A—H3A	119.9	C4C—C3C—H3C	119.9
O3A—C4A—C3A	124.3 (2)	C2C—C3C—H3C	119.9
O3A—C4A—C5A	115.9 (2)	O3C—C4C—C3C	124.7 (3)
C3A—C4A—C5A	119.8 (2)	O3C—C4C—C5C	115.4 (2)
O4A—C5A—C6A	121.3 (2)	C3C—C4C—C5C	119.9 (2)
O4A—C5A—C4A	118.7 (2)	O4C—C5C—C6C	121.2 (2)
C6A—C5A—C4A	119.9 (2)	O4C—C5C—C4C	118.6 (3)
O5A—C6A—C5A	121.2 (2)	C6C—C5C—C4C	120.1 (2)
O5A—C6A—C7A	117.7 (2)	O5C—C6C—C5C	123.0 (2)
C5A—C6A—C7A	121.1 (2)	O5C—C6C—C7C	116.6 (2)
C2A—C7A—C6A	117.7 (2)	C5C—C6C—C7C	120.3 (2)
C2A—C7A—C8A	119.6 (2)	C2C—C7C—C6C	118.1 (2)
C6A—C7A—C8A	122.7 (2)	C2C—C7C—C8C	118.8 (2)
C9A—C8A—C7A	119.7 (2)	C6C—C7C—C8C	123.1 (2)
C9A—C8A—H8A	120.2	C9C—C8C—C7C	120.2 (2)
C7A—C8A—H8A	120.2	C9C—C8C—H8C	119.9
C8A—C9A—N1A	121.0 (2)	C7C—C8C—H8C	119.9
C8A—C9A—C10A	131.1 (2)	C8C—C9C—N1C	121.2 (2)
N1A—C9A—C10A	107.9 (2)	C8C—C9C—C10C	131.2 (2)
O1A—C10A—C11A	128.5 (2)	N1C—C9C—C10C	107.6 (2)
O1A—C10A—C9A	126.4 (2)	O1C—C10C—C11C	129.6 (3)
C11A—C10A—C9A	105.0 (2)	O1C—C10C—C9C	125.7 (3)
C12A—C11A—C16A	120.1 (2)	C11C—C10C—C9C	104.7 (2)
C12A—C11A—C10A	130.9 (2)	C16C—C11C—C12C	120.2 (2)
C16A—C11A—C10A	108.9 (2)	C16C—C11C—C10C	109.2 (2)
C13A—C12A—C11A	118.3 (2)	C12C—C11C—C10C	130.5 (3)
C13A—C12A—H12A	120.8	C13C—C12C—C11C	118.4 (3)
C11A—C12A—H12A	120.8	C13C—C12C—H12C	120.8
C14A—C13A—C12A	120.6 (3)	C11C—C12C—H12C	120.8
C14A—C13A—H13A	119.7	C14C—C13C—C12C	120.3 (3)
C12A—C13A—H13A	119.7	C14C—C13C—H13C	119.8
C13A—C14A—C15A	122.3 (2)	C12C—C13C—H13C	119.8
C13A—C14A—H14A	118.9	C13C—C14C—C15C	122.4 (3)
C15A—C14A—H14A	118.9	C13C—C14C—H14C	118.8
C16A—C15A—C14A	116.9 (2)	C15C—C14C—H14C	118.8
C16A—C15A—H15A	121.6	C16C—C15C—C14C	116.9 (3)
C14A—C15A—H15A	121.6	C16C—C15C—H15C	121.5
C15A—C16A—C11A	121.8 (2)	C14C—C15C—H15C	121.5
C15A—C16A—N1A	129.3 (2)	C15C—C16C—C11C	121.8 (2)
C11A—C16A—N1A	108.9 (2)	C15C—C16C—N1C	129.4 (2)
O3A—C17A—H17A	109.5	C11C—C16C—N1C	108.9 (2)
O3A—C17A—H17B	109.5	O3C—C17C—H17G	109.5
H17A—C17A—H17B	109.5	O3C—C17C—H17H	109.5
O3A—C17A—H17C	109.5	H17G—C17C—H17H	109.5
H17A—C17A—H17C	109.5	O3C—C17C—H17I	109.5
H17B—C17A—H17C	109.5	H17G—C17C—H17I	109.5
O4A—C18A—H18A	109.5	H17H—C17C—H17I	109.5
O4A—C18A—H18B	109.5	O4C—C18C—H18J	109.5
O4A—C18A—H18C	109.5	O4C—C18C—H18K	109.5
O4A—C18E—H18D	109.5	H18J—C18C—H18K	109.5
O4A—C18E—H18E	109.5	O4C—C18C—H18L	109.5
H18D—C18E—H18E	109.5	H18J—C18C—H18L	109.5
O4A—C18E—H18F	109.5	H18K—C18C—H18L	109.5
H18D—C18E—H18F	109.5	O5C—C19C—H19G	109.5
H18E—C18E—H18F	109.5	O5C—C19C—H19H	109.5
O5A—C19A—H19A	109.5	H19G—C19C—H19H	109.5
O5A—C19A—H19B	109.5	O5C—C19C—H19I	109.5
H19A—C19A—H19B	109.5	H19G—C19C—H19I	109.5
O5A—C19A—H19C	109.5	H19H—C19C—H19I	109.5
H19A—C19A—H19C	109.5	C4D—O3D—C17D	116.3 (2)
H19B—C19A—H19C	109.5	C5D—O4D—C18D	115.8 (2)
C4B—O3B—C17B	117.5 (2)	C6D—O5D—C19D	116.8 (2)
C5B—O4B—C18B	116.5 (2)	C1D—N1D—C9D	123.3 (2)
C6B—O5B—C19B	116.2 (2)	C1D—N1D—C16D	126.8 (2)
C1B—N1B—C9B	123.2 (2)	C9D—N1D—C16D	109.9 (2)
C1B—N1B—C16B	127.2 (2)	O2D—C1D—N1D	121.5 (2)
C9B—N1B—C16B	109.6 (2)	O2D—C1D—C2D	124.4 (2)
O2B—C1B—N1B	121.3 (2)	N1D—C1D—C2D	114.2 (2)
O2B—C1B—C2B	123.6 (2)	C3D—C2D—C7D	121.6 (2)
N1B—C1B—C2B	115.1 (2)	C3D—C2D—C1D	116.8 (2)
C3B—C2B—C7B	121.0 (2)	C7D—C2D—C1D	121.6 (2)
C3B—C2B—C1B	118.2 (2)	C4D—C3D—C2D	119.9 (2)
C7B—C2B—C1B	120.8 (2)	C4D—C3D—H3D	120.0
C4B—C3B—C2B	120.7 (2)	C2D—C3D—H3D	120.0
C4B—C3B—H3B	119.7	O3D—C4D—C3D	124.9 (2)
C2B—C3B—H3B	119.7	O3D—C4D—C5D	115.2 (2)
O3B—C4B—C3B	125.7 (2)	C3D—C4D—C5D	119.9 (2)
O3B—C4B—C5B	114.5 (2)	O4D—C5D—C6D	121.2 (2)
C3B—C4B—C5B	119.8 (2)	O4D—C5D—C4D	118.5 (2)
O4B—C5B—C6B	122.5 (2)	C6D—C5D—C4D	120.3 (2)
O4B—C5B—C4B	117.9 (2)	O5D—C6D—C5D	122.3 (2)
C6B—C5B—C4B	119.6 (2)	O5D—C6D—C7D	117.3 (2)
O5B—C6B—C5B	121.8 (2)	C5D—C6D—C7D	120.4 (2)
O5B—C6B—C7B	117.1 (2)	C2D—C7D—C6D	117.8 (2)
C5B—C6B—C7B	121.1 (2)	C2D—C7D—C8D	119.4 (2)
C6B—C7B—C2B	117.9 (2)	C6D—C7D—C8D	122.8 (2)
C6B—C7B—C8B	122.7 (2)	C9D—C8D—C7D	119.2 (2)
C2B—C7B—C8B	119.4 (2)	C9D—C8D—H8D	120.4
C9B—C8B—C7B	119.9 (2)	C7D—C8D—H8D	120.4
C9B—C8B—H8B	120.0	C8D—C9D—N1D	122.3 (2)
C7B—C8B—H8B	120.0	C8D—C9D—C10D	130.8 (2)
C8B—C9B—N1B	121.6 (2)	N1D—C9D—C10D	106.9 (2)
C8B—C9B—C10B	131.4 (2)	O1D—C10D—C11D	128.2 (3)
N1B—C9B—C10B	107.0 (2)	O1D—C10D—C9D	126.2 (3)
O1B—C10B—C11B	128.7 (3)	C11D—C10D—C9D	105.6 (2)
O1B—C10B—C9B	125.9 (2)	C12D—C11D—C16D	120.2 (3)
C11B—C10B—C9B	105.4 (2)	C12D—C11D—C10D	131.9 (3)
C12B—C11B—C16B	120.8 (3)	C16D—C11D—C10D	107.9 (2)
C12B—C11B—C10B	130.7 (3)	C13D—C12D—C11D	118.6 (3)
C16B—C11B—C10B	108.5 (2)	C13D—C12D—H12D	120.7
C13B—C12B—C11B	118.7 (3)	C11D—C12D—H12D	120.7
C13B—C12B—H12B	120.6	C14D—C13D—C12D	120.6 (3)
C11B—C12B—H12B	120.6	C14D—C13D—H13D	119.7
C12B—C13B—C14B	120.1 (3)	C12D—C13D—H13D	119.7
C12B—C13B—H13B	119.9	C13D—C14D—C15D	122.1 (3)
C14B—C13B—H13B	119.9	C13D—C14D—H14D	118.9
C13B—C14B—C15B	122.5 (3)	C15D—C14D—H14D	118.9
C13B—C14B—H14B	118.7	C16D—C15D—C14D	117.0 (3)
C15B—C14B—H14B	118.7	C16D—C15D—H15D	121.5
C14B—C15B—C16B	117.1 (3)	C14D—C15D—H15D	121.5
C14B—C15B—H15B	121.5	C15D—C16D—C11D	121.5 (2)
C16B—C15B—H15B	121.5	C15D—C16D—N1D	128.8 (2)
C15B—C16B—C11B	120.7 (3)	C11D—C16D—N1D	109.7 (2)
C15B—C16B—N1B	129.9 (3)	O3D—C17D—H17J	109.5
C11B—C16B—N1B	109.4 (2)	O3D—C17D—H17K	109.5
O3B—C17B—H17D	109.5	H17J—C17D—H17K	109.5
O3B—C17B—H17E	109.5	O3D—C17D—H17L	109.5
H17D—C17B—H17E	109.5	H17J—C17D—H17L	109.5
O3B—C17B—H17F	109.5	H17K—C17D—H17L	109.5
H17D—C17B—H17F	109.5	O4D—C18D—H18M	109.5
H17E—C17B—H17F	109.5	O4D—C18D—H18N	109.5
O4B—C18B—H18G	109.5	H18M—C18D—H18N	109.5
O4B—C18B—H18H	109.5	O4D—C18D—H18O	109.5
H18G—C18B—H18H	109.5	H18M—C18D—H18O	109.5
O4B—C18B—H18I	109.5	H18N—C18D—H18O	109.5
H18G—C18B—H18I	109.5	O5D—C19D—H19J	109.5
H18H—C18B—H18I	109.5	O5D—C19D—H19K	109.5
O5B—C19B—H19D	109.5	H19J—C19D—H19K	109.5
O5B—C19B—H19E	109.5	O5D—C19D—H19L	109.5
H19D—C19B—H19E	109.5	H19J—C19D—H19L	109.5
O5B—C19B—H19F	109.5	H19K—C19D—H19L	109.5
C9A—N1A—C1A—O2A	−179.4 (2)	C9B—N1B—C16B—C11B	−0.9 (3)
C16A—N1A—C1A—O2A	1.8 (4)	C9C—N1C—C1C—O2C	−175.8 (2)
C9A—N1A—C1A—C2A	2.5 (3)	C16C—N1C—C1C—O2C	2.4 (4)
C16A—N1A—C1A—C2A	−176.3 (2)	C9C—N1C—C1C—C2C	4.2 (3)
O2A—C1A—C2A—C3A	−1.8 (4)	C16C—N1C—C1C—C2C	−177.6 (2)
N1A—C1A—C2A—C3A	176.3 (2)	O2C—C1C—C2C—C3C	−1.2 (4)
O2A—C1A—C2A—C7A	180.0 (2)	N1C—C1C—C2C—C3C	178.8 (2)
N1A—C1A—C2A—C7A	−1.9 (3)	O2C—C1C—C2C—C7C	178.2 (2)
C7A—C2A—C3A—C4A	1.2 (4)	N1C—C1C—C2C—C7C	−1.8 (3)
C1A—C2A—C3A—C4A	−177.0 (2)	C7C—C2C—C3C—C4C	0.3 (4)
C17A—O3A—C4A—C3A	−4.5 (4)	C1C—C2C—C3C—C4C	179.6 (2)
C17A—O3A—C4A—C5A	175.5 (2)	C17C—O3C—C4C—C3C	2.9 (4)
C2A—C3A—C4A—O3A	179.0 (2)	C17C—O3C—C4C—C5C	−177.7 (2)
C2A—C3A—C4A—C5A	−1.0 (4)	C2C—C3C—C4C—O3C	−179.7 (2)
C18E—O4A—C5A—C6A	−105 (2)	C2C—C3C—C4C—C5C	0.9 (4)
C18A—O4A—C5A—C6A	−70.4 (10)	C18C—O4C—C5C—C6C	88.5 (4)
C18E—O4A—C5A—C4A	79 (2)	C18C—O4C—C5C—C4C	−94.0 (3)
C18A—O4A—C5A—C4A	114.1 (10)	O3C—C4C—C5C—O4C	1.7 (4)
O3A—C4A—C5A—O4A	−4.6 (3)	C3C—C4C—C5C—O4C	−178.8 (2)
C3A—C4A—C5A—O4A	175.5 (2)	O3C—C4C—C5C—C6C	179.2 (2)
O3A—C4A—C5A—C6A	179.8 (2)	C3C—C4C—C5C—C6C	−1.3 (4)
C3A—C4A—C5A—C6A	−0.2 (4)	C19C—O5C—C6C—C5C	55.0 (4)
C19A—O5A—C6A—C5A	−73.6 (3)	C19C—O5C—C6C—C7C	−129.0 (3)
C19A—O5A—C6A—C7A	108.2 (3)	O4C—C5C—C6C—O5C	−6.3 (4)
O4A—C5A—C6A—O5A	7.6 (4)	C4C—C5C—C6C—O5C	176.3 (2)
C4A—C5A—C6A—O5A	−176.9 (2)	O4C—C5C—C6C—C7C	177.9 (2)
O4A—C5A—C6A—C7A	−174.3 (2)	C4C—C5C—C6C—C7C	0.5 (4)
C4A—C5A—C6A—C7A	1.2 (4)	C3C—C2C—C7C—C6C	−1.1 (4)
C3A—C2A—C7A—C6A	−0.2 (3)	C1C—C2C—C7C—C6C	179.6 (2)
C1A—C2A—C7A—C6A	178.0 (2)	C3C—C2C—C7C—C8C	178.2 (2)
C3A—C2A—C7A—C8A	−178.1 (2)	C1C—C2C—C7C—C8C	−1.1 (3)
C1A—C2A—C7A—C8A	0.1 (3)	O5C—C6C—C7C—C2C	−175.4 (2)
O5A—C6A—C7A—C2A	177.2 (2)	C5C—C6C—C7C—C2C	0.7 (4)
C5A—C6A—C7A—C2A	−1.0 (3)	O5C—C6C—C7C—C8C	5.3 (4)
O5A—C6A—C7A—C8A	−5.0 (3)	C5C—C6C—C7C—C8C	−178.6 (2)
C5A—C6A—C7A—C8A	176.8 (2)	C2C—C7C—C8C—C9C	1.9 (4)
C2A—C7A—C8A—C9A	1.4 (4)	C6C—C7C—C8C—C9C	−178.8 (2)
C6A—C7A—C8A—C9A	−176.4 (2)	C7C—C8C—C9C—N1C	0.3 (4)
C7A—C8A—C9A—N1A	−0.9 (4)	C7C—C8C—C9C—C10C	−179.4 (2)
C7A—C8A—C9A—C10A	177.5 (2)	C1C—N1C—C9C—C8C	−3.6 (4)
C1A—N1A—C9A—C8A	−1.1 (4)	C16C—N1C—C9C—C8C	177.9 (2)
C16A—N1A—C9A—C8A	177.8 (2)	C1C—N1C—C9C—C10C	176.1 (2)
C1A—N1A—C9A—C10A	−179.8 (2)	C16C—N1C—C9C—C10C	−2.3 (3)
C16A—N1A—C9A—C10A	−0.9 (2)	C8C—C9C—C10C—O1C	2.0 (5)
C8A—C9A—C10A—O1A	0.7 (5)	N1C—C9C—C10C—O1C	−177.7 (3)
N1A—C9A—C10A—O1A	179.2 (2)	C8C—C9C—C10C—C11C	−178.4 (3)
C8A—C9A—C10A—C11A	−177.7 (3)	N1C—C9C—C10C—C11C	1.9 (3)
N1A—C9A—C10A—C11A	0.9 (3)	O1C—C10C—C11C—C16C	178.8 (3)
O1A—C10A—C11A—C12A	−0.9 (5)	C9C—C10C—C11C—C16C	−0.7 (3)
C9A—C10A—C11A—C12A	177.4 (3)	O1C—C10C—C11C—C12C	−1.9 (5)
O1A—C10A—C11A—C16A	−178.9 (3)	C9C—C10C—C11C—C12C	178.6 (3)
C9A—C10A—C11A—C16A	−0.5 (3)	C16C—C11C—C12C—C13C	−0.4 (4)
C16A—C11A—C12A—C13A	0.4 (4)	C10C—C11C—C12C—C13C	−179.6 (3)
C10A—C11A—C12A—C13A	−177.4 (3)	C11C—C12C—C13C—C14C	0.7 (4)
C11A—C12A—C13A—C14A	−0.4 (4)	C12C—C13C—C14C—C15C	−0.4 (5)
C12A—C13A—C14A—C15A	−0.2 (5)	C13C—C14C—C15C—C16C	−0.1 (4)
C13A—C14A—C15A—C16A	0.8 (4)	C14C—C15C—C16C—C11C	0.4 (4)
C14A—C15A—C16A—C11A	−0.8 (4)	C14C—C15C—C16C—N1C	−179.7 (2)
C14A—C15A—C16A—N1A	177.3 (2)	C12C—C11C—C16C—C15C	−0.1 (4)
C12A—C11A—C16A—C15A	0.3 (4)	C10C—C11C—C16C—C15C	179.3 (2)
C10A—C11A—C16A—C15A	178.5 (2)	C12C—C11C—C16C—N1C	179.9 (2)
C12A—C11A—C16A—N1A	−178.2 (2)	C10C—C11C—C16C—N1C	−0.7 (3)
C10A—C11A—C16A—N1A	0.0 (3)	C1C—N1C—C16C—C15C	3.6 (4)
C1A—N1A—C16A—C15A	1.2 (4)	C9C—N1C—C16C—C15C	−178.0 (3)
C9A—N1A—C16A—C15A	−177.8 (2)	C1C—N1C—C16C—C11C	−176.5 (2)
C1A—N1A—C16A—C11A	179.5 (2)	C9C—N1C—C16C—C11C	1.9 (3)
C9A—N1A—C16A—C11A	0.5 (3)	C9D—N1D—C1D—O2D	−179.4 (2)
C9B—N1B—C1B—O2B	179.6 (2)	C16D—N1D—C1D—O2D	−1.2 (4)
C16B—N1B—C1B—O2B	−0.3 (4)	C9D—N1D—C1D—C2D	0.7 (3)
C9B—N1B—C1B—C2B	0.8 (3)	C16D—N1D—C1D—C2D	179.0 (2)
C16B—N1B—C1B—C2B	−179.2 (2)	O2D—C1D—C2D—C3D	3.4 (4)
O2B—C1B—C2B—C3B	0.2 (4)	N1D—C1D—C2D—C3D	−176.8 (2)
N1B—C1B—C2B—C3B	179.0 (2)	O2D—C1D—C2D—C7D	−177.8 (2)
O2B—C1B—C2B—C7B	−179.0 (2)	N1D—C1D—C2D—C7D	2.1 (3)
N1B—C1B—C2B—C7B	−0.2 (3)	C7D—C2D—C3D—C4D	1.2 (4)
C7B—C2B—C3B—C4B	0.2 (4)	C1D—C2D—C3D—C4D	−179.9 (2)
C1B—C2B—C3B—C4B	−178.9 (2)	C17D—O3D—C4D—C3D	11.0 (4)
C17B—O3B—C4B—C3B	−2.5 (4)	C17D—O3D—C4D—C5D	−168.9 (2)
C17B—O3B—C4B—C5B	177.7 (2)	C2D—C3D—C4D—O3D	−178.3 (2)
C2B—C3B—C4B—O3B	−179.8 (2)	C2D—C3D—C4D—C5D	1.5 (4)
C2B—C3B—C4B—C5B	0.0 (4)	C18D—O4D—C5D—C6D	86.3 (3)
C18B—O4B—C5B—C6B	−69.3 (3)	C18D—O4D—C5D—C4D	−97.3 (3)
C18B—O4B—C5B—C4B	113.0 (3)	O3D—C4D—C5D—O4D	0.6 (3)
O3B—C4B—C5B—O4B	−2.2 (3)	C3D—C4D—C5D—O4D	−179.3 (2)
C3B—C4B—C5B—O4B	178.0 (2)	O3D—C4D—C5D—C6D	177.0 (2)
O3B—C4B—C5B—C6B	−179.9 (2)	C3D—C4D—C5D—C6D	−2.9 (4)
C3B—C4B—C5B—C6B	0.3 (4)	C19D—O5D—C6D—C5D	62.0 (3)
C19B—O5B—C6B—C5B	−64.1 (3)	C19D—O5D—C6D—C7D	−120.9 (2)
C19B—O5B—C6B—C7B	118.7 (3)	O4D—C5D—C6D—O5D	−5.3 (4)
O4B—C5B—C6B—O5B	4.5 (4)	C4D—C5D—C6D—O5D	178.4 (2)
C4B—C5B—C6B—O5B	−177.8 (2)	O4D—C5D—C6D—C7D	177.7 (2)
O4B—C5B—C6B—C7B	−178.4 (2)	C4D—C5D—C6D—C7D	1.4 (4)
C4B—C5B—C6B—C7B	−0.7 (4)	C3D—C2D—C7D—C6D	−2.6 (3)
O5B—C6B—C7B—C2B	178.1 (2)	C1D—C2D—C7D—C6D	178.6 (2)
C5B—C6B—C7B—C2B	0.9 (4)	C3D—C2D—C7D—C8D	175.9 (2)
O5B—C6B—C7B—C8B	−2.8 (3)	C1D—C2D—C7D—C8D	−3.0 (3)
C5B—C6B—C7B—C8B	−180.0 (2)	O5D—C6D—C7D—C2D	−175.9 (2)
C3B—C2B—C7B—C6B	−0.7 (3)	C5D—C6D—C7D—C2D	1.3 (3)
C1B—C2B—C7B—C6B	178.5 (2)	O5D—C6D—C7D—C8D	5.7 (3)
C3B—C2B—C7B—C8B	−179.8 (2)	C5D—C6D—C7D—C8D	−177.1 (2)
C1B—C2B—C7B—C8B	−0.7 (3)	C2D—C7D—C8D—C9D	0.9 (4)
C6B—C7B—C8B—C9B	−178.2 (2)	C6D—C7D—C8D—C9D	179.3 (2)
C2B—C7B—C8B—C9B	0.9 (4)	C7D—C8D—C9D—N1D	2.0 (4)
C7B—C8B—C9B—N1B	−0.4 (4)	C7D—C8D—C9D—C10D	−177.4 (2)
C7B—C8B—C9B—C10B	178.9 (2)	C1D—N1D—C9D—C8D	−2.9 (4)
C1B—N1B—C9B—C8B	−0.5 (4)	C16D—N1D—C9D—C8D	178.6 (2)
C16B—N1B—C9B—C8B	179.5 (2)	C1D—N1D—C9D—C10D	176.6 (2)
C1B—N1B—C9B—C10B	−179.9 (2)	C16D—N1D—C9D—C10D	−1.9 (3)
C16B—N1B—C9B—C10B	0.0 (3)	C8D—C9D—C10D—O1D	2.0 (5)
C8B—C9B—C10B—O1B	1.4 (5)	N1D—C9D—C10D—O1D	−177.4 (3)
N1B—C9B—C10B—O1B	−179.2 (3)	C8D—C9D—C10D—C11D	−179.3 (3)
C8B—C9B—C10B—C11B	−178.6 (3)	N1D—C9D—C10D—C11D	1.3 (3)
N1B—C9B—C10B—C11B	0.7 (3)	O1D—C10D—C11D—C12D	−1.7 (6)
O1B—C10B—C11B—C12B	−1.0 (5)	C9D—C10D—C11D—C12D	179.6 (3)
C9B—C10B—C11B—C12B	179.0 (3)	O1D—C10D—C11D—C16D	178.5 (3)
O1B—C10B—C11B—C16B	178.7 (3)	C9D—C10D—C11D—C16D	−0.2 (3)
C9B—C10B—C11B—C16B	−1.3 (3)	C16D—C11D—C12D—C13D	1.6 (5)
C16B—C11B—C12B—C13B	−1.2 (5)	C10D—C11D—C12D—C13D	−178.1 (3)
C10B—C11B—C12B—C13B	178.5 (3)	C11D—C12D—C13D—C14D	−0.7 (5)
C11B—C12B—C13B—C14B	0.8 (5)	C12D—C13D—C14D—C15D	−0.3 (5)
C12B—C13B—C14B—C15B	0.5 (5)	C13D—C14D—C15D—C16D	0.3 (5)
C13B—C14B—C15B—C16B	−1.3 (5)	C14D—C15D—C16D—C11D	0.7 (4)
C14B—C15B—C16B—C11B	0.9 (4)	C14D—C15D—C16D—N1D	179.6 (3)
C14B—C15B—C16B—N1B	180.0 (3)	C12D—C11D—C16D—C15D	−1.7 (4)
C12B—C11B—C16B—C15B	0.4 (4)	C10D—C11D—C16D—C15D	178.1 (3)
C10B—C11B—C16B—C15B	−179.4 (2)	C12D—C11D—C16D—N1D	179.2 (3)
C12B—C11B—C16B—N1B	−178.9 (3)	C10D—C11D—C16D—N1D	−1.0 (3)
C10B—C11B—C16B—N1B	1.3 (3)	C1D—N1D—C16D—C15D	4.4 (4)
C1B—N1B—C16B—C15B	−0.1 (4)	C9D—N1D—C16D—C15D	−177.2 (3)
C9B—N1B—C16B—C15B	179.9 (3)	C1D—N1D—C16D—C11D	−176.6 (2)
C1B—N1B—C16B—C11B	179.1 (2)	C9D—N1D—C16D—C11D	1.8 (3)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
C15A—H15A···O2A	0.93	2.39	2.926 (3)	116
C15B—H15B···O2B	0.93	2.41	2.939 (4)	116
C15C—H15C···O2C	0.93	2.40	2.929 (3)	116
C15D—H15D···O2D	0.93	2.38	2.920 (4)	117
C18A—H18C···O5A	0.96	2.49	3.053 (17)	117
C18B—H18I···O5B	0.96	2.50	3.109 (4)	121
C19A—H19C···O4A	0.96	2.55	3.096 (4)	117
C19B—H19F···O4B	0.96	2.38	3.026 (4)	124
C19C—H19G···O4C	0.96	2.50	2.919 (5)	106
C19D—H19J···O4D	0.96	2.34	2.981 (4)	123
C18D—H18N···O5A	0.96	2.54	3.439 (4)	156
C18D—H18O···O1C	0.96	2.60	3.372 (4)	138
C19D—H19K···O1A	0.96	2.57	3.502 (4)	164
C12A—H12A···O1C^i	0.93	2.56	3.345 (3)	142
C14B—H14B···O2C^ii	0.93	2.35	3.254 (4)	162
C14D—H14D···O2A^iii	0.93	2.53	3.201 (4)	129
C17C—H17H···O3A^iv	0.96	2.56	3.451 (4)	154
C17D—H17K···O3B^v	0.96	2.51	3.298 (4)	140
C18A—H18A···O1B^vi	0.96	2.32	3.278 (16)	173
C18B—H18G···O1A^vii	0.96	2.38	3.264 (4)	153
C18B—H18H···O5C^vii	0.96	2.50	3.420 (4)	160
C19A—H19A···O2B^viii	0.96	2.42	3.373 (4)	175
C19B—H19D···O2A^ix	0.96	2.33	3.240 (4)	158
C19C—H19I···O2D^ii	0.96	2.33	3.252 (5)	162
C19D—H19L···O2C^x	0.96	2.38	3.312 (4)	164

Symmetry codes: (i) x, −y+1/2, z+1/2; (ii) −x+1, y+1/2, −z+1/2; (iii) x+1, y, z; (iv) x+1, −y+1/2, z+1/2; (v) −x, −y+1, −z; (vi) −x, y−1/2, −z+1/2; (vii) −x, y+1/2, −z+1/2; (viii) x, y−1, z; (ix) x, y+1, z; (x) −x+1, y−1/2, −z+1/2.