(3S,4S)-tert-Butyl 4-dibenzyl­amino-3-hydr­oxy-5-phenyl­penta­noate

The title compound, C₂₉H₃₅NO₃, was obtained as a major product by reduction of (S)-tert-butyl 4-dibenzyl­amino-3-oxo-5-phenyl­penta­noate. The mol­ecular packing in the crystal structure is stabilized by weak inter­molecular inter­actions and van der Waals forces.

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean [sigma](C-C) = 0.007 Å
• R factor = 0.063
• wR factor = 0.178
• Data-to-parameter ratio = 10.2

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT201_ALERT_2_B Isotropic non-H Atoms in Main Residue(s) .......          1

Alert level C
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature        293 K
PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature .        293 K
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.66 Ratio
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.34 Ratio
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C1
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C26
PLAT331_ALERT_2_C Small Average Phenyl C-C Dist.   C6     -C11           1.37 Ang.
PLAT331_ALERT_2_C Small Average Phenyl C-C Dist.   C13    -C18           1.37 Ang.
PLAT331_ALERT_2_C Small Average Phenyl C-C Dist.   C20    -C25           1.36 Ang.
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          7

Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           26.50
           From the CIF: _reflns_number_total               2994
           Count of symmetry unique reflns         2997
           Completeness (_total/calc)             99.90%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured         0
           Fraction of Friedel pairs measured     0.000
           Are heavy atom types Z>Si present         no

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
  11 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

   3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   7 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion

---

Computing details

Data collection: SMART (Bruker, 2001); cell refinement: SMART; data reduction: SAINT (Bruker, 2001); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997) and ViewerPro (Accelrys, 2001); software used to prepare material for publication: SHELXL97.

(3S,4S)-tert-Butyl 4-dibenzylamino-3-hydroxy-5-phenylpentanoate

Crystal data

C29H35NO3	F(000) = 960
Mr = 445.58	Dx = 1.154 Mg m^−3
Orthorhombic, P212121	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2ac 2ab	Cell parameters from 4261 reflections
a = 10.351 (3) Å	θ = 2.6–22.0°
b = 12.615 (3) Å	µ = 0.07 mm^−1
c = 19.640 (5) Å	T = 293 K
V = 2564.5 (11) Å^3	Chunk, colorless
Z = 4	0.56 × 0.28 × 0.18 mm

Data collection

Bruker APEX area-detector diffractometer	2994 independent reflections
Radiation source: fine-focus sealed tube	2600 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.030
φ and ω scans	θmax = 26.5°, θmin = 1.9°
Absorption correction: multi-scan (SADABS; Bruker, 2001)	h = −12→12
Tmin = 0.960, Tmax = 0.987	k = −15→13
14713 measured reflections	l = −24→24

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)] = 0.063	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.178	H-atom parameters constrained
S = 1.12	w = 1/[σ^2(Fo^2) + (0.0835P)^2 + 0.6494P] where P = (Fo^2 + 2Fc^2)/3
2994 reflections	(Δ/σ)max < 0.001
293 parameters	Δρmax = 0.57 e Å^−3
0 restraints	Δρmin = −0.33 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 > 2σ(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
N1	0.6082 (3)	0.1909 (2)	0.11622 (13)	0.0445 (6)
C1	0.6767 (4)	0.4403 (3)	−0.03267 (18)	0.0525 (8)
C2	0.6804 (4)	0.3561 (2)	0.02100 (17)	0.0507 (8)
H2A	0.6256	0.3775	0.0586	0.061*
H2B	0.7680	0.3501	0.0381	0.061*
C3	0.6370 (3)	0.2497 (3)	−0.00395 (17)	0.0448 (7)
H3A	0.6875	0.2318	−0.0446	0.054*
C4	0.6608 (3)	0.1644 (2)	0.04936 (15)	0.0419 (7)
H4A	0.7547	0.1613	0.0553	0.050*
C5	0.6211 (4)	0.0552 (3)	0.02447 (18)	0.0523 (8)
H5A	0.6288	0.0059	0.0621	0.063*
H5B	0.5307	0.0578	0.0116	0.063*
C6	0.6968 (4)	0.0125 (2)	−0.03441 (17)	0.0517 (8)
C7	0.8288 (4)	0.0010 (3)	−0.0309 (2)	0.0608 (9)
H7A	0.8728	0.0252	0.0073	0.073*
C8	0.8973 (5)	−0.0458 (3)	−0.0832 (2)	0.0707 (11)
H8A	0.9865	−0.0529	−0.0798	0.085*
C9	0.8360 (6)	−0.0810 (4)	−0.1387 (2)	0.0783 (13)
H9A	0.8823	−0.1131	−0.1737	0.094*
C10	0.7068 (6)	−0.0697 (4)	−0.1437 (2)	0.0818 (14)
H10A	0.6645	−0.0936	−0.1826	0.098*
C11	0.6358 (5)	−0.0228 (3)	−0.0918 (2)	0.0693 (11)
H11A	0.5467	−0.0155	−0.0961	0.083*
C12	0.6910 (4)	0.1492 (3)	0.16972 (17)	0.0563 (9)
H12A	0.7210	0.0793	0.1565	0.068*
H12B	0.6406	0.1414	0.2111	0.068*
C13	0.8049 (4)	0.2177 (3)	0.18414 (15)	0.0534 (8)
C14	0.7869 (4)	0.3223 (4)	0.2011 (2)	0.0746 (12)
H14A	0.7039	0.3504	0.2019	0.090*
C15	0.8905 (6)	0.3860 (5)	0.2170 (3)	0.0957 (16)
H15A	0.8769	0.4570	0.2276	0.115*
C16	1.0101 (6)	0.3470 (6)	0.2175 (3)	0.0932 (16)
H16A	1.0792	0.3903	0.2295	0.112*
C17	1.0312 (4)	0.2451 (6)	0.2006 (2)	0.0876 (16)
H17A	1.1151	0.2187	0.1999	0.105*
C18	0.9281 (4)	0.1789 (4)	0.18401 (19)	0.0703 (12)
H18A	0.9431	0.1083	0.1729	0.084*
C19	0.4730 (3)	0.1625 (3)	0.12549 (18)	0.0550 (8)
H19A	0.4648	0.0859	0.1260	0.066*
H19B	0.4230	0.1893	0.0875	0.066*
C20	0.4199 (3)	0.2066 (3)	0.19045 (18)	0.0526 (8)
C21	0.4156 (5)	0.3136 (4)	0.2007 (2)	0.0720 (11)
H21A	0.4441	0.3593	0.1667	0.086*
C22	0.3696 (6)	0.3540 (4)	0.2606 (3)	0.0910 (15)
H22A	0.3673	0.4270	0.2669	0.109*
C23	0.3276 (5)	0.2894 (5)	0.3107 (2)	0.0842 (14)
H23A	0.2965	0.3176	0.3513	0.101*
C24	0.3312 (4)	0.1839 (4)	0.3014 (2)	0.0763 (12)
H24A	0.3035	0.1389	0.3359	0.092*
C25	0.3757 (4)	0.1418 (4)	0.24092 (19)	0.0642 (10)
H25A	0.3755	0.0687	0.2345	0.077*
C26	0.7075 (5)	0.6293 (3)	−0.0485 (2)	0.0730 (13)
C27	0.8116 (6)	0.6202 (4)	−0.0991 (3)	0.1046 (19)
H27A	0.8924	0.6088	−0.0762	0.157*
H27B	0.8163	0.6844	−0.1253	0.157*
H27C	0.7942	0.5615	−0.1288	0.157*
C28	0.5792 (6)	0.6473 (5)	−0.0832 (4)	0.107 (2)
H28A	0.5124	0.6531	−0.0495	0.161*
H28B	0.5607	0.5887	−0.1129	0.161*
H28C	0.5829	0.7115	−0.1094	0.161*
C29	0.7249 (7)	0.7129 (5)	0.0026 (3)	0.1113 (19)*
H29A	0.8061	0.7030	0.0254	0.167*
H29B	0.6561	0.7095	0.0353	0.167*
H29C	0.7241	0.7809	−0.0194	0.167*
O1	0.6583 (4)	0.4231 (2)	−0.09140 (14)	0.0879 (11)
O2	0.5050 (3)	0.2509 (2)	−0.02216 (13)	0.0625 (7)
H2C	0.4926	0.2970	−0.0509	0.094*
O3	0.7013 (4)	0.53268 (18)	−0.00702 (12)	0.0727 (8)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
N1	0.0446 (14)	0.0442 (14)	0.0446 (13)	−0.0030 (12)	0.0014 (11)	0.0045 (11)
C1	0.065 (2)	0.0403 (16)	0.0526 (18)	0.0000 (15)	0.0029 (17)	0.0012 (14)
C2	0.0621 (19)	0.0396 (15)	0.0503 (16)	−0.0026 (15)	0.0010 (16)	0.0036 (13)
C3	0.0478 (16)	0.0410 (14)	0.0456 (15)	−0.0009 (13)	0.0025 (13)	0.0021 (12)
C4	0.0422 (15)	0.0345 (14)	0.0489 (16)	0.0001 (12)	0.0048 (13)	0.0029 (12)
C5	0.061 (2)	0.0375 (15)	0.0580 (18)	−0.0043 (15)	0.0063 (17)	0.0017 (14)
C6	0.074 (2)	0.0312 (14)	0.0501 (17)	−0.0038 (15)	0.0019 (18)	0.0024 (12)
C7	0.072 (2)	0.0510 (18)	0.059 (2)	0.0003 (18)	0.002 (2)	−0.0074 (16)
C8	0.083 (3)	0.054 (2)	0.075 (3)	0.004 (2)	0.014 (2)	−0.008 (2)
C9	0.116 (4)	0.062 (2)	0.056 (2)	0.005 (3)	0.017 (3)	−0.0034 (19)
C10	0.121 (4)	0.080 (3)	0.0441 (19)	−0.004 (3)	−0.010 (2)	−0.0084 (19)
C11	0.086 (3)	0.062 (2)	0.061 (2)	0.002 (2)	−0.014 (2)	−0.0028 (19)
C12	0.060 (2)	0.062 (2)	0.0466 (16)	0.0000 (18)	0.0041 (16)	0.0150 (15)
C13	0.0527 (19)	0.075 (2)	0.0327 (14)	0.0018 (17)	−0.0008 (14)	0.0111 (15)
C14	0.064 (2)	0.088 (3)	0.073 (2)	0.000 (2)	−0.011 (2)	−0.009 (2)
C15	0.089 (4)	0.103 (4)	0.096 (3)	−0.016 (3)	−0.019 (3)	−0.016 (3)
C16	0.077 (3)	0.122 (5)	0.081 (3)	−0.024 (3)	−0.016 (3)	−0.003 (3)
C17	0.053 (2)	0.142 (5)	0.068 (3)	0.000 (3)	−0.006 (2)	0.010 (3)
C18	0.060 (2)	0.099 (3)	0.051 (2)	0.013 (2)	0.0036 (17)	0.007 (2)
C19	0.0502 (19)	0.062 (2)	0.0527 (18)	−0.0059 (17)	0.0036 (15)	−0.0059 (16)
C20	0.0439 (18)	0.065 (2)	0.0486 (17)	0.0009 (15)	0.0017 (14)	0.0002 (16)
C21	0.084 (3)	0.061 (2)	0.072 (2)	0.012 (2)	0.017 (2)	0.002 (2)
C22	0.109 (4)	0.076 (3)	0.089 (3)	0.020 (3)	0.011 (3)	−0.014 (3)
C23	0.088 (3)	0.104 (4)	0.060 (2)	0.016 (3)	0.010 (2)	−0.010 (2)
C24	0.070 (3)	0.107 (4)	0.0512 (19)	0.003 (3)	0.0070 (19)	0.013 (2)
C25	0.063 (2)	0.070 (2)	0.060 (2)	−0.0003 (19)	0.0031 (18)	0.0049 (18)
C26	0.119 (4)	0.0343 (16)	0.066 (2)	−0.003 (2)	0.014 (3)	0.0088 (16)
C27	0.118 (4)	0.066 (3)	0.130 (4)	0.009 (3)	0.041 (4)	0.038 (3)
C28	0.117 (5)	0.073 (3)	0.133 (5)	0.025 (3)	0.020 (4)	0.039 (3)
O1	0.146 (3)	0.0575 (15)	0.0606 (16)	−0.0178 (19)	−0.0189 (19)	0.0101 (13)
O2	0.0556 (14)	0.0679 (16)	0.0641 (14)	−0.0043 (13)	−0.0088 (12)	0.0148 (13)
O3	0.124 (2)	0.0402 (13)	0.0540 (14)	−0.0125 (14)	0.0015 (17)	0.0066 (10)

Geometric parameters (Å, º)

N1—C12	1.454 (4)	C15—C16	1.333 (8)
N1—C19	1.456 (4)	C15—H15A	0.9300
N1—C4	1.460 (4)	C16—C17	1.345 (8)
C1—O1	1.189 (4)	C16—H16A	0.9300
C1—O3	1.295 (4)	C17—C18	1.394 (7)
C1—C2	1.497 (5)	C17—H17A	0.9300
C2—C3	1.498 (5)	C18—H18A	0.9300
C2—H2A	0.9700	C19—C20	1.497 (5)
C2—H2B	0.9700	C19—H19A	0.9700
C3—O2	1.413 (4)	C19—H19B	0.9700
C3—C4	1.521 (4)	C20—C25	1.364 (5)
C3—H3A	0.9800	C20—C21	1.365 (6)
C4—C5	1.518 (4)	C21—C22	1.368 (6)
C4—H4A	0.9800	C21—H21A	0.9300
C5—C6	1.497 (5)	C22—C23	1.350 (7)
C5—H5A	0.9700	C22—H22A	0.9300
C5—H5B	0.9700	C23—C24	1.344 (7)
C6—C11	1.366 (5)	C23—H23A	0.9300
C6—C7	1.376 (6)	C24—C25	1.380 (6)
C7—C8	1.381 (6)	C24—H24A	0.9300
C7—H7A	0.9300	C25—H25A	0.9300
C8—C9	1.337 (6)	C26—O3	1.467 (4)
C8—H8A	0.9300	C26—C29	1.467 (7)
C9—C10	1.349 (8)	C26—C27	1.471 (7)
C9—H9A	0.9300	C26—C28	1.510 (9)
C10—C11	1.390 (7)	C27—H27A	0.9600
C10—H10A	0.9300	C27—H27B	0.9600
C11—H11A	0.9300	C27—H27C	0.9600
C12—C13	1.490 (6)	C28—H28A	0.9600
C12—H12A	0.9700	C28—H28B	0.9600
C12—H12B	0.9700	C28—H28C	0.9600
C13—C18	1.365 (6)	C29—H29A	0.9600
C13—C14	1.374 (6)	C29—H29B	0.9600
C14—C15	1.376 (7)	C29—H29C	0.9600
C14—H14A	0.9300	O2—H2C	0.8200
C12—N1—C19	112.7 (3)	C16—C15—H15A	119.7
C12—N1—C4	110.3 (3)	C14—C15—H15A	119.7
C19—N1—C4	114.5 (3)	C15—C16—C17	120.1 (5)
O1—C1—O3	124.9 (3)	C15—C16—H16A	119.9
O1—C1—C2	123.9 (3)	C17—C16—H16A	119.9
O3—C1—C2	111.1 (3)	C16—C17—C18	120.4 (5)
C1—C2—C3	113.4 (3)	C16—C17—H17A	119.8
C1—C2—H2A	108.9	C18—C17—H17A	119.8
C3—C2—H2A	108.9	C13—C18—C17	120.0 (5)
C1—C2—H2B	108.9	C13—C18—H18A	120.0
C3—C2—H2B	108.9	C17—C18—H18A	120.0
H2A—C2—H2B	107.7	N1—C19—C20	111.6 (3)
O2—C3—C2	111.3 (3)	N1—C19—H19A	109.3
O2—C3—C4	109.8 (3)	C20—C19—H19A	109.3
C2—C3—C4	111.1 (3)	N1—C19—H19B	109.3
O2—C3—H3A	108.2	C20—C19—H19B	109.3
C2—C3—H3A	108.2	H19A—C19—H19B	108.0
C4—C3—H3A	108.2	C25—C20—C21	118.3 (4)
N1—C4—C5	113.4 (2)	C25—C20—C19	121.3 (4)
N1—C4—C3	113.4 (2)	C21—C20—C19	120.3 (4)
C5—C4—C3	112.1 (3)	C20—C21—C22	120.4 (5)
N1—C4—H4A	105.7	C20—C21—H21A	119.8
C5—C4—H4A	105.7	C22—C21—H21A	119.8
C3—C4—H4A	105.7	C23—C22—C21	120.9 (5)
C6—C5—C4	115.7 (3)	C23—C22—H22A	119.5
C6—C5—H5A	108.4	C21—C22—H22A	119.5
C4—C5—H5A	108.4	C24—C23—C22	119.3 (4)
C6—C5—H5B	108.4	C24—C23—H23A	120.3
C4—C5—H5B	108.4	C22—C23—H23A	120.3
H5A—C5—H5B	107.4	C23—C24—C25	120.5 (4)
C11—C6—C7	117.7 (4)	C23—C24—H24A	119.7
C11—C6—C5	120.8 (4)	C25—C24—H24A	119.7
C7—C6—C5	121.3 (3)	C20—C25—C24	120.4 (4)
C6—C7—C8	121.2 (4)	C20—C25—H25A	119.8
C6—C7—H7A	119.4	C24—C25—H25A	119.8
C8—C7—H7A	119.4	O3—C26—C29	102.9 (4)
C9—C8—C7	120.3 (5)	O3—C26—C27	110.0 (4)
C9—C8—H8A	119.8	C29—C26—C27	115.3 (5)
C7—C8—H8A	119.8	O3—C26—C28	109.7 (4)
C8—C9—C10	119.6 (4)	C29—C26—C28	108.0 (5)
C8—C9—H9A	120.2	C27—C26—C28	110.6 (4)
C10—C9—H9A	120.2	C26—C27—H27A	109.5
C9—C10—C11	121.1 (4)	C26—C27—H27B	109.5
C9—C10—H10A	119.4	H27A—C27—H27B	109.5
C11—C10—H10A	119.4	C26—C27—H27C	109.5
C6—C11—C10	120.0 (5)	H27A—C27—H27C	109.5
C6—C11—H11A	120.0	H27B—C27—H27C	109.5
C10—C11—H11A	120.0	C26—C28—H28A	109.5
N1—C12—C13	113.2 (3)	C26—C28—H28B	109.5
N1—C12—H12A	108.9	H28A—C28—H28B	109.5
C13—C12—H12A	108.9	C26—C28—H28C	109.5
N1—C12—H12B	108.9	H28A—C28—H28C	109.5
C13—C12—H12B	108.9	H28B—C28—H28C	109.5
H12A—C12—H12B	107.8	C26—C29—H29A	109.5
C18—C13—C14	118.1 (4)	C26—C29—H29B	109.5
C18—C13—C12	122.1 (4)	H29A—C29—H29B	109.5
C14—C13—C12	119.8 (4)	C26—C29—H29C	109.5
C13—C14—C15	120.7 (5)	H29A—C29—H29C	109.5
C13—C14—H14A	119.7	H29B—C29—H29C	109.5
C15—C14—H14A	119.7	C3—O2—H2C	109.5
C16—C15—C14	120.7 (6)	C1—O3—C26	122.7 (3)
O1—C1—C2—C3	−9.7 (6)	N1—C12—C13—C14	55.9 (5)
O3—C1—C2—C3	173.0 (3)	C18—C13—C14—C15	0.5 (6)
C1—C2—C3—O2	−65.4 (4)	C12—C13—C14—C15	177.6 (4)
C1—C2—C3—C4	171.9 (3)	C13—C14—C15—C16	−1.2 (8)
C12—N1—C4—C5	85.0 (3)	C14—C15—C16—C17	1.7 (9)
C19—N1—C4—C5	−43.4 (4)	C15—C16—C17—C18	−1.5 (8)
C12—N1—C4—C3	−145.7 (3)	C14—C13—C18—C17	−0.3 (6)
C19—N1—C4—C3	85.9 (3)	C12—C13—C18—C17	−177.3 (4)
O2—C3—C4—N1	−71.8 (3)	C16—C17—C18—C13	0.8 (7)
C2—C3—C4—N1	51.7 (4)	C12—N1—C19—C20	61.7 (4)
O2—C3—C4—C5	58.1 (4)	C4—N1—C19—C20	−171.1 (3)
C2—C3—C4—C5	−178.4 (3)	N1—C19—C20—C25	−117.7 (4)
N1—C4—C5—C6	−165.3 (3)	N1—C19—C20—C21	61.7 (5)
C3—C4—C5—C6	64.8 (4)	C25—C20—C21—C22	0.9 (7)
C4—C5—C6—C11	−126.9 (4)	C19—C20—C21—C22	−178.6 (4)
C4—C5—C6—C7	57.5 (4)	C20—C21—C22—C23	−0.1 (8)
C11—C6—C7—C8	−0.8 (6)	C21—C22—C23—C24	0.0 (9)
C5—C6—C7—C8	175.0 (3)	C22—C23—C24—C25	−0.9 (8)
C6—C7—C8—C9	0.1 (6)	C21—C20—C25—C24	−1.7 (6)
C7—C8—C9—C10	0.6 (7)	C19—C20—C25—C24	177.7 (4)
C8—C9—C10—C11	−0.6 (8)	C23—C24—C25—C20	1.7 (7)
C7—C6—C11—C10	0.8 (6)	O1—C1—O3—C26	1.0 (7)
C5—C6—C11—C10	−175.0 (4)	C2—C1—O3—C26	178.3 (4)
C9—C10—C11—C6	−0.1 (7)	C29—C26—O3—C1	174.8 (5)
C19—N1—C12—C13	−149.2 (3)	C27—C26—O3—C1	−61.9 (6)
C4—N1—C12—C13	81.5 (4)	C28—C26—O3—C1	60.0 (6)
N1—C12—C13—C18	−127.1 (4)