Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804008657/hg6033sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536804008657/hg6033Isup2.hkl |
CCDC reference: 239258
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean (C-C) = 0.004 Å
- R factor = 0.050
- wR factor = 0.089
- Data-to-parameter ratio = 12.8
checkCIF/PLATON results
No syntax errors found
Alert level C RINTA01_ALERT_3_C The value of Rint is greater than 0.10 Rint given 0.138 PLAT020_ALERT_3_C The value of Rint is greater than 0.10 ......... 0.14 PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 49 Perc.
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: X-AREA (Stoe & Cie, 2002); cell refinement: X-AREA; data reduction: X-RED32 (Stoe & Cie, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997) and PLATON (Spek, 1997; software used to prepare material for publication: WinGX (Farrugia, 1999).
C29H20N4O | Z = 4 |
Mr = 440.49 | F(000) = 920 |
Triclinic, P1 | Dx = 1.315 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 10.2616 (12) Å | Cell parameters from 15351 reflections |
b = 10.5057 (12) Å | θ = 1.9–26.9° |
c = 21.264 (2) Å | µ = 0.08 mm−1 |
α = 95.064 (9)° | T = 293 K |
β = 93.438 (9)° | Prism, colourless |
γ = 102.158 (9)° | 0.50 × 0.33 × 0.23 mm |
V = 2225.0 (4) Å3 |
Stoe IPDS 2 diffractometer | 3864 reflections with I > 2σ(I) |
Radiation source: sealed X-ray tube | Rint = 0.138 |
Plane graphite monochromator | θmax = 25.0°, θmin = 1.9° |
Detector resolution: 6.67 pixels mm-1 | h = −12→11 |
w rotation scans | k = −12→12 |
28743 measured reflections | l = −25→25 |
7844 independent reflections |
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.050 | H-atom parameters constrained |
wR(F2) = 0.089 | w = 1/[σ2(Fo2) + (0.0101P)2] where P = (Fo2 + 2Fc2)/3 |
S = 0.81 | (Δ/σ)max < 0.001 |
7844 reflections | Δρmax = 0.31 e Å−3 |
614 parameters | Δρmin = −0.24 e Å−3 |
0 restraints | Extinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.0137 (8) |
Experimental. Experiments were followed by thin-layer chromatography using DC Alufolien Kieselgel 60 F254 Merck and Camag TLC lamp (254/366 nm). After completion of the reactions, solvents were evaporated with a rotary evaporator (Buchi RE model 111). Melting point was determined on an Electrothermal 9200 apparatus and is uncorrected. Microanalysis was performed with a Carlo Erba Elemental Analyser Model 1108. |
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. |
x | y | z | Uiso*/Ueq | ||
O1A | 0.37948 (17) | 0.21835 (16) | 0.46585 (8) | 0.0755 (5) | |
N1A | 0.35737 (17) | 0.41939 (18) | 0.43884 (8) | 0.0519 (4) | |
N2A | 0.31799 (17) | 0.53729 (17) | 0.45070 (8) | 0.0546 (5) | |
N3A | 0.23610 (17) | 0.26289 (18) | 0.57472 (8) | 0.0564 (5) | |
N4A | 0.17278 (17) | 0.32908 (18) | 0.61639 (8) | 0.0543 (5) | |
C1A | 0.2584 (2) | 0.5605 (2) | 0.50130 (10) | 0.0492 (5) | |
C2A | 0.2310 (2) | 0.4653 (2) | 0.54599 (9) | 0.0476 (5) | |
C3A | 0.2707 (2) | 0.3475 (2) | 0.53251 (10) | 0.0505 (5) | |
C4A | 0.3398 (2) | 0.3188 (2) | 0.47758 (10) | 0.0550 (6) | |
C5A | 0.1679 (2) | 0.4527 (2) | 0.60165 (9) | 0.0493 (5) | |
C6A | 0.4153 (2) | 0.4100 (2) | 0.37880 (10) | 0.0567 (6) | |
C7A | 0.4088 (3) | 0.2904 (3) | 0.34444 (11) | 0.0757 (7) | |
H7A | 0.3705 | 0.2131 | 0.3606 | 0.091* | |
C8A | 0.4601 (3) | 0.2872 (4) | 0.28538 (12) | 0.0931 (9) | |
H8A | 0.4570 | 0.2070 | 0.2623 | 0.112* | |
C9A | 0.5147 (3) | 0.3995 (4) | 0.26101 (13) | 0.0952 (10) | |
H9A | 0.5487 | 0.3961 | 0.2215 | 0.114* | |
C10A | 0.5199 (3) | 0.5173 (3) | 0.29458 (13) | 0.0815 (8) | |
H10A | 0.5568 | 0.5941 | 0.2775 | 0.098* | |
C11A | 0.4710 (2) | 0.5241 (3) | 0.35347 (11) | 0.0649 (6) | |
H11A | 0.4754 | 0.6050 | 0.3761 | 0.078* | |
C12A | 0.2203 (2) | 0.6896 (2) | 0.50708 (9) | 0.0496 (5) | |
C13A | 0.3130 (2) | 0.8007 (2) | 0.49783 (11) | 0.0646 (6) | |
H13A | 0.3987 | 0.7944 | 0.4880 | 0.078* | |
C14A | 0.2788 (3) | 0.9216 (2) | 0.50313 (11) | 0.0696 (7) | |
H14A | 0.3415 | 0.9963 | 0.4968 | 0.083* | |
C15A | 0.1534 (3) | 0.9312 (2) | 0.51755 (10) | 0.0662 (7) | |
H15A | 0.1312 | 1.0127 | 0.5214 | 0.079* | |
C16A | 0.0599 (2) | 0.8215 (2) | 0.52642 (10) | 0.0626 (6) | |
H16A | −0.0255 | 0.8287 | 0.5363 | 0.075* | |
C17A | 0.0929 (2) | 0.7001 (2) | 0.52064 (9) | 0.0550 (6) | |
H17A | 0.0291 | 0.6254 | 0.5259 | 0.066* | |
C18A | 0.1001 (2) | 0.5386 (2) | 0.63991 (9) | 0.0530 (6) | |
C19A | 0.1673 (2) | 0.6654 (2) | 0.66179 (10) | 0.0615 (6) | |
H19A | 0.2565 | 0.6943 | 0.6542 | 0.074* | |
C20A | 0.1012 (3) | 0.7489 (3) | 0.69489 (10) | 0.0764 (8) | |
H20A | 0.1458 | 0.8341 | 0.7091 | 0.092* | |
C21A | −0.0292 (3) | 0.7061 (3) | 0.70662 (12) | 0.0839 (9) | |
H21A | −0.0728 | 0.7621 | 0.7293 | 0.101* | |
C22A | −0.0964 (3) | 0.5816 (3) | 0.68538 (12) | 0.0786 (8) | |
H22A | −0.1852 | 0.5533 | 0.6937 | 0.094* | |
C23A | −0.0326 (2) | 0.4977 (3) | 0.65161 (10) | 0.0638 (6) | |
H23A | −0.0791 | 0.4135 | 0.6367 | 0.077* | |
C24A | 0.1163 (2) | 0.2624 (2) | 0.66758 (10) | 0.0574 (6) | |
C25A | 0.1423 (2) | 0.3189 (3) | 0.72939 (11) | 0.0688 (7) | |
H25A | 0.1961 | 0.4023 | 0.7389 | 0.083* | |
C26A | 0.0862 (3) | 0.2485 (4) | 0.77709 (12) | 0.0834 (9) | |
H26A | 0.1028 | 0.2848 | 0.8190 | 0.100* | |
C27A | 0.0070 (3) | 0.1263 (4) | 0.76277 (15) | 0.0909 (9) | |
H27A | −0.0305 | 0.0802 | 0.7950 | 0.109* | |
C28A | −0.0176 (3) | 0.0715 (3) | 0.70144 (15) | 0.0866 (8) | |
H28A | −0.0711 | −0.0120 | 0.6921 | 0.104* | |
C29A | 0.0366 (2) | 0.1395 (3) | 0.65326 (12) | 0.0731 (7) | |
H29A | 0.0193 | 0.1025 | 0.6114 | 0.088* | |
O1B | 0.24279 (16) | 0.40437 (18) | −0.07833 (7) | 0.0754 (5) | |
N1B | 0.35184 (17) | 0.36119 (18) | 0.01190 (8) | 0.0560 (5) | |
N2B | 0.45216 (17) | 0.31407 (19) | 0.04302 (8) | 0.0556 (5) | |
N3B | 0.40763 (18) | 0.2659 (2) | −0.14961 (8) | 0.0597 (5) | |
N4B | 0.50580 (18) | 0.19895 (19) | −0.15988 (8) | 0.0571 (5) | |
C1B | 0.5332 (2) | 0.2576 (2) | 0.01165 (10) | 0.0514 (5) | |
C2B | 0.5190 (2) | 0.2408 (2) | −0.05663 (10) | 0.0509 (5) | |
C3B | 0.4175 (2) | 0.2898 (2) | −0.08684 (10) | 0.0535 (6) | |
C4B | 0.3282 (2) | 0.3574 (2) | −0.05369 (10) | 0.0568 (6) | |
C5B | 0.5773 (2) | 0.1825 (2) | −0.10587 (10) | 0.0525 (6) | |
C6B | 0.2680 (2) | 0.4124 (2) | 0.05542 (10) | 0.0561 (6) | |
C7B | 0.1340 (2) | 0.4032 (3) | 0.04005 (12) | 0.0736 (7) | |
H7B | 0.0955 | 0.3672 | 0.0000 | 0.088* | |
C8B | 0.0572 (3) | 0.4479 (3) | 0.08464 (15) | 0.0902 (9) | |
H8B | −0.0330 | 0.4435 | 0.0741 | 0.108* | |
C9B | 0.1123 (3) | 0.4984 (3) | 0.14395 (13) | 0.0884 (9) | |
H9B | 0.0596 | 0.5272 | 0.1738 | 0.106* | |
C10B | 0.2439 (3) | 0.5065 (3) | 0.15914 (12) | 0.0776 (8) | |
H10B | 0.2814 | 0.5408 | 0.1996 | 0.093* | |
C11B | 0.3223 (2) | 0.4644 (2) | 0.11535 (11) | 0.0649 (6) | |
H11B | 0.4128 | 0.4710 | 0.1262 | 0.078* | |
C12B | 0.6295 (2) | 0.2115 (2) | 0.05350 (10) | 0.0526 (6) | |
C13B | 0.6886 (2) | 0.2906 (3) | 0.10759 (10) | 0.0652 (7) | |
H13B | 0.6716 | 0.3739 | 0.1153 | 0.078* | |
C14B | 0.7721 (3) | 0.2477 (3) | 0.15012 (12) | 0.0803 (8) | |
H14B | 0.8105 | 0.3020 | 0.1863 | 0.096* | |
C15B | 0.7990 (2) | 0.1254 (3) | 0.13953 (12) | 0.0751 (8) | |
H15B | 0.8553 | 0.0967 | 0.1684 | 0.090* | |
C16B | 0.7419 (2) | 0.0459 (3) | 0.08585 (11) | 0.0668 (7) | |
H16B | 0.7598 | −0.0370 | 0.0784 | 0.080* | |
C17B | 0.6578 (2) | 0.0882 (2) | 0.04271 (10) | 0.0590 (6) | |
H17B | 0.6202 | 0.0338 | 0.0064 | 0.071* | |
C18B | 0.6828 (2) | 0.1070 (2) | −0.10563 (10) | 0.0543 (6) | |
C19B | 0.8094 (2) | 0.1647 (3) | −0.07877 (11) | 0.0673 (7) | |
H19B | 0.8306 | 0.2535 | −0.0646 | 0.081* | |
C20B | 0.9053 (3) | 0.0901 (4) | −0.07298 (13) | 0.0823 (8) | |
H20B | 0.9905 | 0.1290 | −0.0547 | 0.099* | |
C21B | 0.8752 (3) | −0.0403 (4) | −0.09398 (14) | 0.0898 (9) | |
H21B | 0.9391 | −0.0904 | −0.0891 | 0.108* | |
C22B | 0.7502 (3) | −0.0969 (3) | −0.12222 (12) | 0.0823 (8) | |
H22B | 0.7303 | −0.1851 | −0.1375 | 0.099* | |
C23B | 0.6548 (3) | −0.0244 (3) | −0.12800 (11) | 0.0665 (6) | |
H23B | 0.5703 | −0.0638 | −0.1471 | 0.080* | |
C24B | 0.5173 (2) | 0.1525 (2) | −0.22502 (10) | 0.0596 (6) | |
C25B | 0.6396 (3) | 0.1655 (3) | −0.24912 (11) | 0.0744 (7) | |
H25B | 0.7180 | 0.2014 | −0.2237 | 0.089* | |
C26B | 0.6432 (3) | 0.1231 (3) | −0.31322 (13) | 0.0905 (9) | |
H26B | 0.7250 | 0.1313 | −0.3308 | 0.109* | |
C27B | 0.5282 (3) | 0.0700 (3) | −0.35002 (13) | 0.0954 (10) | |
H27B | 0.5319 | 0.0412 | −0.3924 | 0.114* | |
C28B | 0.4071 (3) | 0.0587 (3) | −0.32494 (12) | 0.0892 (9) | |
H28B | 0.3288 | 0.0226 | −0.3503 | 0.107* | |
C29B | 0.4008 (3) | 0.1005 (3) | −0.26228 (11) | 0.0727 (7) | |
H29B | 0.3185 | 0.0936 | −0.2453 | 0.087* |
U11 | U22 | U33 | U12 | U13 | U23 | |
O1A | 0.1014 (13) | 0.0495 (11) | 0.0873 (12) | 0.0349 (10) | 0.0306 (9) | 0.0100 (9) |
N1A | 0.0605 (11) | 0.0426 (11) | 0.0559 (11) | 0.0178 (9) | 0.0120 (9) | 0.0025 (9) |
N2A | 0.0640 (12) | 0.0406 (11) | 0.0614 (12) | 0.0170 (9) | 0.0087 (9) | 0.0016 (9) |
N3A | 0.0671 (12) | 0.0436 (11) | 0.0615 (11) | 0.0173 (10) | 0.0126 (9) | 0.0037 (10) |
N4A | 0.0613 (11) | 0.0487 (12) | 0.0549 (11) | 0.0158 (10) | 0.0077 (9) | 0.0055 (9) |
C1A | 0.0534 (13) | 0.0379 (13) | 0.0559 (13) | 0.0123 (11) | 0.0011 (11) | −0.0005 (10) |
C2A | 0.0526 (13) | 0.0414 (13) | 0.0489 (13) | 0.0127 (11) | 0.0012 (10) | 0.0007 (10) |
C3A | 0.0564 (13) | 0.0403 (13) | 0.0564 (13) | 0.0146 (11) | 0.0050 (11) | 0.0038 (11) |
C4A | 0.0589 (14) | 0.0454 (15) | 0.0632 (14) | 0.0173 (12) | 0.0082 (11) | 0.0029 (12) |
C5A | 0.0539 (13) | 0.0433 (13) | 0.0515 (13) | 0.0147 (11) | −0.0003 (11) | 0.0026 (10) |
C6A | 0.0575 (14) | 0.0597 (16) | 0.0552 (14) | 0.0199 (12) | 0.0052 (11) | 0.0002 (12) |
C7A | 0.0967 (19) | 0.0655 (18) | 0.0679 (17) | 0.0294 (16) | 0.0104 (14) | −0.0072 (13) |
C8A | 0.134 (3) | 0.094 (3) | 0.0634 (18) | 0.057 (2) | 0.0176 (17) | −0.0088 (16) |
C9A | 0.104 (2) | 0.141 (3) | 0.0616 (17) | 0.066 (2) | 0.0237 (16) | 0.018 (2) |
C10A | 0.0718 (17) | 0.107 (3) | 0.0777 (19) | 0.0339 (18) | 0.0232 (14) | 0.0257 (18) |
C11A | 0.0607 (14) | 0.0692 (18) | 0.0667 (16) | 0.0156 (13) | 0.0091 (12) | 0.0112 (13) |
C12A | 0.0597 (14) | 0.0399 (13) | 0.0505 (12) | 0.0159 (12) | 0.0005 (10) | 0.0026 (10) |
C13A | 0.0699 (16) | 0.0468 (15) | 0.0796 (16) | 0.0158 (13) | 0.0121 (12) | 0.0075 (12) |
C14A | 0.0818 (18) | 0.0402 (15) | 0.0871 (18) | 0.0138 (14) | 0.0066 (14) | 0.0079 (13) |
C15A | 0.0878 (18) | 0.0476 (16) | 0.0685 (15) | 0.0312 (15) | −0.0022 (13) | 0.0016 (12) |
C16A | 0.0705 (16) | 0.0600 (17) | 0.0636 (15) | 0.0308 (15) | −0.0007 (12) | 0.0039 (12) |
C17A | 0.0607 (14) | 0.0462 (14) | 0.0587 (13) | 0.0166 (12) | −0.0047 (11) | 0.0028 (11) |
C18A | 0.0580 (14) | 0.0541 (15) | 0.0499 (12) | 0.0215 (12) | 0.0005 (10) | 0.0020 (11) |
C19A | 0.0731 (16) | 0.0598 (17) | 0.0522 (13) | 0.0221 (14) | −0.0034 (11) | −0.0042 (12) |
C20A | 0.109 (2) | 0.0627 (17) | 0.0595 (15) | 0.0315 (17) | 0.0016 (15) | −0.0103 (13) |
C21A | 0.107 (2) | 0.091 (2) | 0.0677 (17) | 0.054 (2) | 0.0154 (16) | −0.0013 (16) |
C22A | 0.0676 (16) | 0.107 (3) | 0.0717 (17) | 0.0405 (18) | 0.0134 (13) | 0.0112 (17) |
C23A | 0.0639 (16) | 0.0679 (17) | 0.0623 (14) | 0.0225 (14) | 0.0035 (12) | 0.0020 (12) |
C24A | 0.0654 (14) | 0.0584 (16) | 0.0546 (14) | 0.0217 (13) | 0.0121 (11) | 0.0149 (12) |
C25A | 0.0714 (16) | 0.0798 (19) | 0.0587 (15) | 0.0262 (15) | 0.0030 (13) | 0.0041 (14) |
C26A | 0.092 (2) | 0.113 (3) | 0.0589 (16) | 0.048 (2) | 0.0146 (15) | 0.0192 (18) |
C27A | 0.101 (2) | 0.101 (3) | 0.088 (2) | 0.041 (2) | 0.0371 (18) | 0.040 (2) |
C28A | 0.101 (2) | 0.0668 (19) | 0.098 (2) | 0.0182 (17) | 0.0339 (17) | 0.0251 (18) |
C29A | 0.0913 (18) | 0.0580 (18) | 0.0715 (16) | 0.0139 (15) | 0.0210 (14) | 0.0105 (14) |
O1B | 0.0805 (11) | 0.0882 (14) | 0.0693 (10) | 0.0483 (11) | −0.0016 (9) | 0.0062 (9) |
N1B | 0.0572 (11) | 0.0554 (12) | 0.0591 (12) | 0.0217 (10) | 0.0047 (9) | 0.0035 (9) |
N2B | 0.0538 (11) | 0.0564 (12) | 0.0594 (11) | 0.0193 (10) | 0.0044 (9) | 0.0047 (9) |
N3B | 0.0623 (12) | 0.0637 (13) | 0.0583 (12) | 0.0257 (11) | 0.0065 (9) | 0.0040 (10) |
N4B | 0.0644 (12) | 0.0588 (13) | 0.0501 (11) | 0.0181 (10) | 0.0062 (9) | 0.0041 (9) |
C1B | 0.0527 (13) | 0.0494 (14) | 0.0535 (13) | 0.0138 (11) | 0.0053 (11) | 0.0063 (11) |
C2B | 0.0525 (13) | 0.0466 (13) | 0.0552 (14) | 0.0137 (11) | 0.0050 (11) | 0.0064 (11) |
C3B | 0.0585 (14) | 0.0506 (14) | 0.0528 (14) | 0.0139 (12) | 0.0049 (11) | 0.0079 (11) |
C4B | 0.0600 (14) | 0.0560 (15) | 0.0562 (15) | 0.0182 (12) | 0.0013 (11) | 0.0038 (11) |
C5B | 0.0530 (13) | 0.0524 (14) | 0.0545 (13) | 0.0159 (11) | 0.0036 (11) | 0.0076 (11) |
C6B | 0.0606 (15) | 0.0497 (14) | 0.0618 (15) | 0.0185 (12) | 0.0115 (12) | 0.0053 (11) |
C7B | 0.0624 (16) | 0.083 (2) | 0.0799 (17) | 0.0282 (15) | 0.0094 (13) | 0.0028 (14) |
C8B | 0.0745 (18) | 0.109 (3) | 0.103 (2) | 0.0447 (19) | 0.0248 (17) | 0.025 (2) |
C9B | 0.106 (2) | 0.097 (2) | 0.080 (2) | 0.055 (2) | 0.0338 (17) | 0.0122 (17) |
C10B | 0.093 (2) | 0.074 (2) | 0.0716 (17) | 0.0316 (17) | 0.0182 (15) | −0.0013 (14) |
C11B | 0.0699 (15) | 0.0583 (16) | 0.0678 (16) | 0.0174 (13) | 0.0088 (13) | 0.0033 (13) |
C12B | 0.0516 (13) | 0.0604 (16) | 0.0486 (13) | 0.0151 (12) | 0.0078 (10) | 0.0114 (11) |
C13B | 0.0741 (16) | 0.0678 (17) | 0.0559 (14) | 0.0225 (14) | 0.0011 (12) | 0.0041 (13) |
C14B | 0.093 (2) | 0.086 (2) | 0.0630 (16) | 0.0298 (18) | −0.0134 (14) | 0.0020 (15) |
C15B | 0.0724 (17) | 0.092 (2) | 0.0668 (17) | 0.0288 (16) | −0.0012 (13) | 0.0183 (16) |
C16B | 0.0674 (16) | 0.0646 (17) | 0.0756 (16) | 0.0245 (14) | 0.0108 (13) | 0.0186 (14) |
C17B | 0.0552 (14) | 0.0605 (16) | 0.0641 (14) | 0.0169 (12) | 0.0082 (11) | 0.0092 (12) |
C18B | 0.0568 (14) | 0.0580 (16) | 0.0529 (13) | 0.0200 (13) | 0.0112 (11) | 0.0098 (11) |
C19B | 0.0606 (16) | 0.0712 (18) | 0.0742 (16) | 0.0214 (14) | 0.0079 (12) | 0.0107 (13) |
C20B | 0.0589 (16) | 0.105 (3) | 0.0902 (19) | 0.0284 (18) | 0.0121 (14) | 0.0215 (18) |
C21B | 0.090 (2) | 0.103 (3) | 0.101 (2) | 0.056 (2) | 0.0392 (18) | 0.040 (2) |
C22B | 0.104 (2) | 0.0594 (18) | 0.097 (2) | 0.0375 (18) | 0.0336 (18) | 0.0171 (15) |
C23B | 0.0738 (16) | 0.0570 (17) | 0.0719 (16) | 0.0200 (14) | 0.0139 (12) | 0.0052 (13) |
C24B | 0.0708 (16) | 0.0629 (16) | 0.0503 (13) | 0.0248 (13) | 0.0087 (13) | 0.0075 (12) |
C25B | 0.0714 (17) | 0.088 (2) | 0.0685 (17) | 0.0259 (15) | 0.0111 (13) | 0.0071 (14) |
C26B | 0.089 (2) | 0.118 (3) | 0.0716 (19) | 0.033 (2) | 0.0264 (16) | 0.0118 (18) |
C27B | 0.110 (2) | 0.125 (3) | 0.0569 (16) | 0.042 (2) | 0.0066 (18) | −0.0038 (17) |
C28B | 0.095 (2) | 0.113 (3) | 0.0592 (17) | 0.0289 (19) | 0.0013 (15) | −0.0051 (16) |
C29B | 0.0721 (16) | 0.087 (2) | 0.0587 (16) | 0.0192 (15) | 0.0017 (13) | 0.0036 (14) |
O1A—C4A | 1.220 (2) | O1B—C4B | 1.208 (2) |
N1A—C4A | 1.385 (3) | N1B—N2B | 1.390 (2) |
N1A—N2A | 1.389 (2) | N1B—C4B | 1.397 (3) |
N1A—C6A | 1.444 (3) | N1B—C6B | 1.445 (3) |
N2A—C1A | 1.299 (3) | N2B—C1B | 1.301 (3) |
N3A—C3A | 1.330 (2) | N3B—C3B | 1.330 (3) |
N3A—N4A | 1.357 (2) | N3B—N4B | 1.362 (2) |
N4A—C5A | 1.372 (3) | N4B—C5B | 1.369 (2) |
N4A—C24A | 1.432 (3) | N4B—C24B | 1.448 (3) |
C1A—C2A | 1.437 (3) | C1B—C2B | 1.442 (3) |
C1A—C12A | 1.485 (3) | C1B—C12B | 1.475 (2) |
C2A—C5A | 1.386 (3) | C2B—C5B | 1.395 (3) |
C2A—C3A | 1.394 (3) | C2B—C3B | 1.403 (3) |
C3A—C4A | 1.444 (3) | C3B—C4B | 1.450 (3) |
C5A—C18A | 1.471 (3) | C5B—C18B | 1.471 (3) |
C6A—C7A | 1.383 (3) | C6B—C7B | 1.375 (3) |
C6A—C11A | 1.384 (3) | C6B—C11B | 1.377 (3) |
C7A—C8A | 1.391 (4) | C7B—C8B | 1.381 (4) |
C7A—H7A | 0.9300 | C7B—H7B | 0.9300 |
C8A—C9A | 1.356 (4) | C8B—C9B | 1.364 (4) |
C8A—H8A | 0.9300 | C8B—H8B | 0.9300 |
C9A—C10A | 1.362 (4) | C9B—C10B | 1.353 (3) |
C9A—H9A | 0.9300 | C9B—H9B | 0.9300 |
C10A—C11A | 1.378 (3) | C10B—C11B | 1.370 (3) |
C10A—H10A | 0.9300 | C10B—H10B | 0.9300 |
C11A—H11A | 0.9300 | C11B—H11B | 0.9300 |
C12A—C13A | 1.379 (3) | C12B—C13B | 1.384 (3) |
C12A—C17A | 1.380 (3) | C12B—C17B | 1.388 (3) |
C13A—C14A | 1.384 (3) | C13B—C14B | 1.377 (3) |
C13A—H13A | 0.9300 | C13B—H13B | 0.9300 |
C14A—C15A | 1.362 (3) | C14B—C15B | 1.372 (4) |
C14A—H14A | 0.9300 | C14B—H14B | 0.9300 |
C15A—C16A | 1.371 (3) | C15B—C16B | 1.375 (4) |
C15A—H15A | 0.9300 | C15B—H15B | 0.9300 |
C16A—C17A | 1.384 (3) | C16B—C17B | 1.386 (3) |
C16A—H16A | 0.9300 | C16B—H16B | 0.9300 |
C17A—H17A | 0.9300 | C17B—H17B | 0.9300 |
C18A—C23A | 1.384 (3) | C18B—C19B | 1.378 (3) |
C18A—C19A | 1.390 (3) | C18B—C23B | 1.384 (3) |
C19A—C20A | 1.387 (3) | C19B—C20B | 1.387 (3) |
C19A—H19A | 0.9300 | C19B—H19B | 0.9300 |
C20A—C21A | 1.364 (4) | C20B—C21B | 1.367 (4) |
C20A—H20A | 0.9300 | C20B—H20B | 0.9300 |
C21A—C22A | 1.367 (4) | C21B—C22B | 1.372 (4) |
C21A—H21A | 0.9300 | C21B—H21B | 0.9300 |
C22A—C23A | 1.381 (3) | C22B—C23B | 1.368 (3) |
C22A—H22A | 0.9300 | C22B—H22B | 0.9300 |
C23A—H23A | 0.9300 | C23B—H23B | 0.9300 |
C24A—C29A | 1.373 (4) | C24B—C25B | 1.368 (3) |
C24A—C25A | 1.380 (3) | C24B—C29B | 1.375 (3) |
C25A—C26A | 1.390 (3) | C25B—C26B | 1.401 (4) |
C25A—H25A | 0.9300 | C25B—H25B | 0.9300 |
C26A—C27A | 1.364 (4) | C26B—C27B | 1.361 (4) |
C26A—H26A | 0.9300 | C26B—H26B | 0.9300 |
C27A—C28A | 1.365 (4) | C27B—C28B | 1.368 (4) |
C27A—H27A | 0.9300 | C27B—H27B | 0.9300 |
C28A—C29A | 1.378 (3) | C28B—C29B | 1.375 (3) |
C28A—H28A | 0.9300 | C28B—H28B | 0.9300 |
C29A—H29A | 0.9300 | C29B—H29B | 0.9300 |
C4A—N1A—N2A | 125.42 (18) | N2B—N1B—C4B | 125.68 (18) |
C4A—N1A—C6A | 122.71 (19) | N2B—N1B—C6B | 112.21 (16) |
N2A—N1A—C6A | 111.82 (17) | C4B—N1B—C6B | 122.08 (17) |
C1A—N2A—N1A | 120.41 (17) | C1B—N2B—N1B | 121.21 (17) |
C3A—N3A—N4A | 103.03 (17) | C3B—N3B—N4B | 102.67 (15) |
N3A—N4A—C5A | 113.76 (17) | N3B—N4B—C5B | 114.18 (17) |
N3A—N4A—C24A | 117.73 (18) | N3B—N4B—C24B | 116.38 (16) |
C5A—N4A—C24A | 128.47 (19) | C5B—N4B—C24B | 129.42 (19) |
N2A—C1A—C2A | 121.09 (19) | N2B—C1B—C2B | 120.23 (17) |
N2A—C1A—C12A | 114.33 (19) | N2B—C1B—C12B | 112.60 (18) |
C2A—C1A—C12A | 124.6 (2) | C2B—C1B—C12B | 127.1 (2) |
C5A—C2A—C3A | 105.32 (18) | C5B—C2B—C3B | 104.67 (17) |
C5A—C2A—C1A | 137.5 (2) | C5B—C2B—C1B | 137.89 (19) |
C3A—C2A—C1A | 117.2 (2) | C3B—C2B—C1B | 117.4 (2) |
N3A—C3A—C2A | 113.2 (2) | N3B—C3B—C2B | 113.6 (2) |
N3A—C3A—C4A | 123.3 (2) | N3B—C3B—C4B | 122.29 (18) |
C2A—C3A—C4A | 123.6 (2) | C2B—C3B—C4B | 124.1 (2) |
O1A—C4A—N1A | 122.9 (2) | O1B—C4B—N1B | 123.1 (2) |
O1A—C4A—C3A | 124.8 (2) | O1B—C4B—C3B | 125.6 (2) |
N1A—C4A—C3A | 112.32 (19) | N1B—C4B—C3B | 111.32 (18) |
N4A—C5A—C2A | 104.72 (19) | N4B—C5B—C2B | 104.84 (17) |
N4A—C5A—C18A | 122.10 (19) | N4B—C5B—C18B | 123.30 (19) |
C2A—C5A—C18A | 133.11 (19) | C2B—C5B—C18B | 131.64 (18) |
C7A—C6A—C11A | 119.5 (2) | C7B—C6B—C11B | 119.2 (2) |
C7A—C6A—N1A | 121.6 (2) | C7B—C6B—N1B | 121.9 (2) |
C11A—C6A—N1A | 118.8 (2) | C11B—C6B—N1B | 118.83 (19) |
C6A—C7A—C8A | 119.3 (3) | C6B—C7B—C8B | 119.4 (3) |
C6A—C7A—H7A | 120.4 | C6B—C7B—H7B | 120.3 |
C8A—C7A—H7A | 120.4 | C8B—C7B—H7B | 120.3 |
C9A—C8A—C7A | 120.8 (3) | C9B—C8B—C7B | 120.7 (3) |
C9A—C8A—H8A | 119.6 | C9B—C8B—H8B | 119.6 |
C7A—C8A—H8A | 119.6 | C7B—C8B—H8B | 119.6 |
C8A—C9A—C10A | 119.9 (3) | C10B—C9B—C8B | 119.8 (3) |
C8A—C9A—H9A | 120.1 | C10B—C9B—H9B | 120.1 |
C10A—C9A—H9A | 120.1 | C8B—C9B—H9B | 120.1 |
C9A—C10A—C11A | 120.8 (3) | C9B—C10B—C11B | 120.4 (3) |
C9A—C10A—H10A | 119.6 | C9B—C10B—H10B | 119.8 |
C11A—C10A—H10A | 119.6 | C11B—C10B—H10B | 119.8 |
C10A—C11A—C6A | 119.7 (3) | C10B—C11B—C6B | 120.5 (2) |
C10A—C11A—H11A | 120.1 | C10B—C11B—H11B | 119.8 |
C6A—C11A—H11A | 120.1 | C6B—C11B—H11B | 119.8 |
C13A—C12A—C17A | 119.3 (2) | C13B—C12B—C17B | 118.39 (18) |
C13A—C12A—C1A | 119.6 (2) | C13B—C12B—C1B | 119.0 (2) |
C17A—C12A—C1A | 121.1 (2) | C17B—C12B—C1B | 122.5 (2) |
C12A—C13A—C14A | 120.1 (2) | C14B—C13B—C12B | 120.9 (2) |
C12A—C13A—H13A | 119.9 | C14B—C13B—H13B | 119.5 |
C14A—C13A—H13A | 119.9 | C12B—C13B—H13B | 119.6 |
C15A—C14A—C13A | 120.1 (2) | C15B—C14B—C13B | 120.6 (3) |
C15A—C14A—H14A | 119.9 | C15B—C14B—H14B | 119.7 |
C13A—C14A—H14A | 119.9 | C13B—C14B—H14B | 119.7 |
C14A—C15A—C16A | 120.4 (2) | C14B—C15B—C16B | 119.3 (2) |
C14A—C15A—H15A | 119.8 | C14B—C15B—H15B | 120.4 |
C16A—C15A—H15A | 119.8 | C16B—C15B—H15B | 120.4 |
C15A—C16A—C17A | 119.8 (2) | C15B—C16B—C17B | 120.6 (2) |
C15A—C16A—H16A | 120.1 | C15B—C16B—H16B | 119.7 |
C17A—C16A—H16A | 120.1 | C17B—C16B—H16B | 119.7 |
C12A—C17A—C16A | 120.2 (2) | C16B—C17B—C12B | 120.2 (2) |
C12A—C17A—H17A | 119.9 | C16B—C17B—H17B | 119.9 |
C16A—C17A—H17A | 119.9 | C12B—C17B—H17B | 119.9 |
C23A—C18A—C19A | 119.1 (2) | C19B—C18B—C23B | 119.1 (2) |
C23A—C18A—C5A | 120.9 (2) | C19B—C18B—C5B | 119.8 (2) |
C19A—C18A—C5A | 119.9 (2) | C23B—C18B—C5B | 120.9 (2) |
C20A—C19A—C18A | 119.9 (2) | C18B—C19B—C20B | 119.8 (3) |
C20A—C19A—H19A | 120.0 | C18B—C19B—H19B | 120.1 |
C18A—C19A—H19A | 120.0 | C20B—C19B—H19B | 120.1 |
C21A—C20A—C19A | 120.0 (3) | C21B—C20B—C19B | 120.5 (3) |
C21A—C20A—H20A | 120.0 | C21B—C20B—H20B | 119.8 |
C19A—C20A—H20A | 120.0 | C19B—C20B—H20B | 119.8 |
C20A—C21A—C22A | 120.6 (3) | C20B—C21B—C22B | 119.7 (3) |
C20A—C21A—H21A | 119.7 | C20B—C21B—H21B | 120.2 |
C22A—C21A—H21A | 119.7 | C22B—C21B—H21B | 120.2 |
C21A—C22A—C23A | 120.2 (3) | C23B—C22B—C21B | 120.4 (3) |
C21A—C22A—H22A | 119.9 | C23B—C22B—H22B | 119.8 |
C23A—C22A—H22A | 119.9 | C21B—C22B—H22B | 119.8 |
C22A—C23A—C18A | 120.2 (3) | C22B—C23B—C18B | 120.6 (2) |
C22A—C23A—H23A | 119.9 | C22B—C23B—H23B | 119.7 |
C18A—C23A—H23A | 119.9 | C18B—C23B—H23B | 119.7 |
C29A—C24A—C25A | 121.0 (2) | C25B—C24B—C29B | 121.5 (2) |
C29A—C24A—N4A | 117.8 (2) | C25B—C24B—N4B | 121.0 (2) |
C25A—C24A—N4A | 121.2 (2) | C29B—C24B—N4B | 117.5 (2) |
C24A—C25A—C26A | 118.5 (3) | C24B—C25B—C26B | 118.0 (2) |
C24A—C25A—H25A | 120.8 | C24B—C25B—H25B | 121.0 |
C26A—C25A—H25A | 120.8 | C26B—C25B—H25B | 121.0 |
C27A—C26A—C25A | 120.4 (3) | C27B—C26B—C25B | 120.7 (3) |
C27A—C26A—H26A | 119.8 | C27B—C26B—H26B | 119.7 |
C25A—C26A—H26A | 119.8 | C25B—C26B—H26B | 119.7 |
C26A—C27A—C28A | 120.4 (3) | C26B—C27B—C28B | 120.2 (3) |
C26A—C27A—H27A | 119.8 | C26B—C27B—H27B | 119.9 |
C28A—C27A—H27A | 119.8 | C28B—C27B—H27B | 119.9 |
C27A—C28A—C29A | 120.3 (3) | C27B—C28B—C29B | 120.2 (3) |
C27A—C28A—H28A | 119.9 | C27B—C28B—H28B | 119.9 |
C29A—C28A—H28A | 119.9 | C29B—C28B—H28B | 119.9 |
C24A—C29A—C28A | 119.4 (3) | C24B—C29B—C28B | 119.4 (2) |
C24A—C29A—H29A | 120.3 | C24B—C29B—H29B | 120.3 |
C28A—C29A—H29A | 120.3 | C28B—C29B—H29B | 120.3 |
C4A—N1A—N2A—C1A | −0.5 (3) | C4B—N1B—N2B—C1B | −1.7 (3) |
C6A—N1A—N2A—C1A | 176.96 (18) | C6B—N1B—N2B—C1B | 176.2 (2) |
C3A—N3A—N4A—C5A | −0.5 (2) | C3B—N3B—N4B—C5B | −1.0 (2) |
C3A—N3A—N4A—C24A | 177.28 (17) | C3B—N3B—N4B—C24B | 177.3 (2) |
N1A—N2A—C1A—C2A | −0.3 (3) | N1B—N2B—C1B—C2B | −1.0 (3) |
N1A—N2A—C1A—C12A | −179.07 (16) | N1B—N2B—C1B—C12B | −178.36 (18) |
N2A—C1A—C2A—C5A | −177.1 (2) | N2B—C1B—C2B—C5B | −175.9 (3) |
C12A—C1A—C2A—C5A | 1.5 (4) | C12B—C1B—C2B—C5B | 1.0 (4) |
N2A—C1A—C2A—C3A | −0.2 (3) | N2B—C1B—C2B—C3B | 1.3 (3) |
C12A—C1A—C2A—C3A | 178.42 (19) | C12B—C1B—C2B—C3B | 178.2 (2) |
N4A—N3A—C3A—C2A | −0.2 (2) | N4B—N3B—C3B—C2B | 0.2 (2) |
N4A—N3A—C3A—C4A | −178.86 (19) | N4B—N3B—C3B—C4B | −178.3 (2) |
C5A—C2A—C3A—N3A | 0.8 (2) | C5B—C2B—C3B—N3B | 0.6 (3) |
C1A—C2A—C3A—N3A | −177.10 (17) | C1B—C2B—C3B—N3B | −177.49 (19) |
C5A—C2A—C3A—C4A | 179.43 (19) | C5B—C2B—C3B—C4B | 179.0 (2) |
C1A—C2A—C3A—C4A | 1.6 (3) | C1B—C2B—C3B—C4B | 0.9 (3) |
N2A—N1A—C4A—O1A | −178.0 (2) | N2B—N1B—C4B—O1B | −177.0 (2) |
C6A—N1A—C4A—O1A | 4.8 (3) | C6B—N1B—C4B—O1B | 5.3 (3) |
N2A—N1A—C4A—C3A | 1.7 (3) | N2B—N1B—C4B—C3B | 3.5 (3) |
C6A—N1A—C4A—C3A | −175.51 (18) | C6B—N1B—C4B—C3B | −174.2 (2) |
N3A—C3A—C4A—O1A | −4.0 (3) | N3B—C3B—C4B—O1B | −4.2 (4) |
C2A—C3A—C4A—O1A | 177.5 (2) | C2B—C3B—C4B—O1B | 177.5 (2) |
N3A—C3A—C4A—N1A | 176.29 (18) | N3B—C3B—C4B—N1B | 175.2 (2) |
C2A—C3A—C4A—N1A | −2.2 (3) | C2B—C3B—C4B—N1B | −3.1 (3) |
N3A—N4A—C5A—C2A | 1.0 (2) | N3B—N4B—C5B—C2B | 1.4 (2) |
C24A—N4A—C5A—C2A | −176.52 (19) | C24B—N4B—C5B—C2B | −176.6 (2) |
N3A—N4A—C5A—C18A | 178.17 (17) | N3B—N4B—C5B—C18B | 176.5 (2) |
C24A—N4A—C5A—C18A | 0.7 (3) | C24B—N4B—C5B—C18B | −1.5 (4) |
C3A—C2A—C5A—N4A | −1.0 (2) | C3B—C2B—C5B—N4B | −1.1 (2) |
C1A—C2A—C5A—N4A | 176.2 (2) | C1B—C2B—C5B—N4B | 176.4 (2) |
C3A—C2A—C5A—C18A | −177.7 (2) | C3B—C2B—C5B—C18B | −175.7 (2) |
C1A—C2A—C5A—C18A | −0.6 (4) | C1B—C2B—C5B—C18B | 1.8 (5) |
C4A—N1A—C6A—C7A | 25.9 (3) | N2B—N1B—C6B—C7B | −146.8 (2) |
N2A—N1A—C6A—C7A | −151.7 (2) | C4B—N1B—C6B—C7B | 31.1 (3) |
C4A—N1A—C6A—C11A | −158.21 (19) | N2B—N1B—C6B—C11B | 29.1 (3) |
N2A—N1A—C6A—C11A | 24.2 (3) | C4B—N1B—C6B—C11B | −153.0 (2) |
C11A—C6A—C7A—C8A | 0.9 (4) | C11B—C6B—C7B—C8B | 0.9 (4) |
N1A—C6A—C7A—C8A | 176.7 (2) | N1B—C6B—C7B—C8B | 176.8 (2) |
C6A—C7A—C8A—C9A | −0.8 (4) | C6B—C7B—C8B—C9B | −1.3 (4) |
C7A—C8A—C9A—C10A | 0.1 (4) | C7B—C8B—C9B—C10B | 0.8 (5) |
C8A—C9A—C10A—C11A | 0.5 (4) | C8B—C9B—C10B—C11B | 0.1 (4) |
C9A—C10A—C11A—C6A | −0.4 (4) | C9B—C10B—C11B—C6B | −0.5 (4) |
C7A—C6A—C11A—C10A | −0.3 (3) | C7B—C6B—C11B—C10B | 0.0 (4) |
N1A—C6A—C11A—C10A | −176.31 (19) | N1B—C6B—C11B—C10B | −176.0 (2) |
N2A—C1A—C12A—C13A | −48.2 (3) | N2B—C1B—C12B—C13B | −41.7 (3) |
C2A—C1A—C12A—C13A | 133.2 (2) | C2B—C1B—C12B—C13B | 141.2 (2) |
N2A—C1A—C12A—C17A | 130.9 (2) | N2B—C1B—C12B—C17B | 134.6 (2) |
C2A—C1A—C12A—C17A | −47.8 (3) | C2B—C1B—C12B—C17B | −42.6 (3) |
C17A—C12A—C13A—C14A | 1.0 (3) | C17B—C12B—C13B—C14B | −0.8 (3) |
C1A—C12A—C13A—C14A | −179.9 (2) | C1B—C12B—C13B—C14B | 175.6 (2) |
C12A—C13A—C14A—C15A | 0.1 (4) | C12B—C13B—C14B—C15B | 0.3 (4) |
C13A—C14A—C15A—C16A | −0.5 (4) | C13B—C14B—C15B—C16B | 0.1 (4) |
C14A—C15A—C16A—C17A | −0.1 (3) | C14B—C15B—C16B—C17B | −0.1 (4) |
C13A—C12A—C17A—C16A | −1.6 (3) | C15B—C16B—C17B—C12B | −0.4 (3) |
C1A—C12A—C17A—C16A | 179.37 (18) | C13B—C12B—C17B—C16B | 0.8 (3) |
C15A—C16A—C17A—C12A | 1.1 (3) | C1B—C12B—C17B—C16B | −175.42 (19) |
N4A—C5A—C18A—C23A | −55.4 (3) | N4B—C5B—C18B—C19B | 124.5 (2) |
C2A—C5A—C18A—C23A | 120.9 (3) | C2B—C5B—C18B—C19B | −61.8 (3) |
N4A—C5A—C18A—C19A | 128.3 (2) | N4B—C5B—C18B—C23B | −60.1 (3) |
C2A—C5A—C18A—C19A | −55.4 (3) | C2B—C5B—C18B—C23B | 113.6 (3) |
C23A—C18A—C19A—C20A | 0.1 (3) | C23B—C18B—C19B—C20B | −1.8 (3) |
C5A—C18A—C19A—C20A | 176.46 (18) | C5B—C18B—C19B—C20B | 173.7 (2) |
C18A—C19A—C20A—C21A | 0.8 (3) | C18B—C19B—C20B—C21B | 0.3 (4) |
C19A—C20A—C21A—C22A | −0.7 (4) | C19B—C20B—C21B—C22B | 1.4 (4) |
C20A—C21A—C22A—C23A | −0.1 (4) | C20B—C21B—C22B—C23B | −1.7 (4) |
C21A—C22A—C23A—C18A | 1.0 (4) | C21B—C22B—C23B—C18B | 0.2 (4) |
C19A—C18A—C23A—C22A | −0.9 (3) | C19B—C18B—C23B—C22B | 1.6 (4) |
C5A—C18A—C23A—C22A | −177.28 (19) | C5B—C18B—C23B—C22B | −173.9 (2) |
N3A—N4A—C24A—C29A | −49.6 (3) | N3B—N4B—C24B—C25B | 136.0 (2) |
C5A—N4A—C24A—C29A | 127.8 (2) | C5B—N4B—C24B—C25B | −46.1 (4) |
N3A—N4A—C24A—C25A | 129.7 (2) | N3B—N4B—C24B—C29B | −41.2 (3) |
C5A—N4A—C24A—C25A | −53.0 (3) | C5B—N4B—C24B—C29B | 136.7 (2) |
C29A—C24A—C25A—C26A | 0.2 (3) | C29B—C24B—C25B—C26B | −0.5 (4) |
N4A—C24A—C25A—C26A | −179.00 (19) | N4B—C24B—C25B—C26B | −177.6 (2) |
C24A—C25A—C26A—C27A | −0.2 (4) | C24B—C25B—C26B—C27B | −0.4 (4) |
C25A—C26A—C27A—C28A | 0.4 (4) | C25B—C26B—C27B—C28B | 0.7 (5) |
C26A—C27A—C28A—C29A | −0.5 (4) | C26B—C27B—C28B—C29B | −0.2 (5) |
C25A—C24A—C29A—C28A | −0.3 (4) | C25B—C24B—C29B—C28B | 1.0 (4) |
N4A—C24A—C29A—C28A | 178.9 (2) | N4B—C24B—C29B—C28B | 178.1 (2) |
C27A—C28A—C29A—C24A | 0.5 (4) | C27B—C28B—C29B—C24B | −0.6 (4) |
D—H···A | D—H | H···A | D···A | D—H···A |
C7A—H7A···O1A | 0.93 | 2.23 | 2.770 (3) | 116 |
C7B—H7B···O1B | 0.93 | 2.32 | 2.814 (3) | 113 |
C14A—H14A···O1Ai | 0.93 | 2.44 | 3.255 (3) | 147 |
C13A—H13A···O1Aii | 0.93 | 2.46 | 3.255 (3) | 144 |
C13B—H13B···O1Biii | 0.93 | 2.52 | 3.257 (3) | 136 |
Symmetry codes: (i) x, y+1, z; (ii) −x+1, −y+1, −z+1; (iii) −x+1, −y+1, −z. |
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