| Literature DB >> 23424492 |
Rei Sakamoto1, Kosuke Sasagawa, Daichi Hijikata, Akiko Okamoto, Noriyuki Yonezawa.
Abstract
In the title compound, C(31)H(20)O(5), the phenyl rings of the benzo-yloxy and benzoyl groups are twisted away from the naphthalene ring system by 64.27 (6), 73.62 (5) and 80.41 (6)°. In the crystal, C-H⋯O hydrogen bonds and C-H⋯π inter-actions link the mol-ecules, forming tubular chains parallel to the b axis. The chains are further connected into a three-dimensional network by C-H⋯π inter-actions and π-π stacking contacts [centroid-centroid distances = 3.622 (10)-3.866 (12) Å].Entities:
Year: 2013 PMID: 23424492 PMCID: PMC3569746 DOI: 10.1107/S1600536812052026
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| C31H20O5 | |
| Monoclinic, | Cu |
| Hall symbol: -P 2yn | Cell parameters from 33959 reflections |
| θ = 3.2–68.2° | |
| µ = 0.73 mm−1 | |
| β = 99.180 (1)° | Block, colorless |
| 0.40 × 0.40 × 0.30 mm | |
| Rigaku R-AXIS RAPID diffractometer | 4282 independent reflections |
| Radiation source: fine-focus sealed tube | 3753 reflections with |
| Graphite monochromator | |
| Detector resolution: 10.000 pixels mm-1 | θmax = 68.2°, θmin = 3.2° |
| ω scans | |
| Absorption correction: numerical ( | |
| 40057 measured reflections |
| Refinement on | Secondary atom site location: difference Fourier map |
| Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
| H-atom parameters constrained | |
| (Δ/σ)max < 0.001 | |
| 4282 reflections | Δρmax = 0.18 e Å−3 |
| 326 parameters | Δρmin = −0.16 e Å−3 |
| 0 restraints | Extinction correction: |
| Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.0025 (2) |
| 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 |
| O1 | 0.26313 (6) | 0.21093 (12) | 0.46194 (4) | 0.0438 (2) | |
| O2 | 0.20361 (5) | 0.66287 (13) | 0.43467 (4) | 0.0425 (2) | |
| O3 | 0.21367 (7) | 0.6819 (2) | 0.54365 (5) | 0.0750 (4) | |
| O4 | 0.56034 (6) | 0.12325 (13) | 0.37018 (4) | 0.0434 (2) | |
| O5 | 0.52644 (9) | 0.19992 (17) | 0.26435 (5) | 0.0712 (4) | |
| C1 | 0.32080 (7) | 0.47803 (17) | 0.42157 (6) | 0.0336 (3) | |
| C2 | 0.29093 (8) | 0.64552 (18) | 0.43808 (6) | 0.0378 (3) | |
| C3 | 0.34234 (9) | 0.80265 (18) | 0.45251 (6) | 0.0424 (3) | |
| H3 | 0.3195 | 0.9172 | 0.4644 | 0.051* | |
| C4 | 0.42574 (9) | 0.78701 (17) | 0.44913 (6) | 0.0405 (3) | |
| H4 | 0.4613 | 0.8917 | 0.4596 | 0.049* | |
| C5 | 0.54650 (8) | 0.60238 (19) | 0.42507 (6) | 0.0409 (3) | |
| H5 | 0.5828 | 0.7056 | 0.4362 | 0.049* | |
| C6 | 0.57842 (8) | 0.4414 (2) | 0.40428 (6) | 0.0426 (3) | |
| H6 | 0.6362 | 0.4326 | 0.4005 | 0.051* | |
| C7 | 0.52458 (8) | 0.28923 (18) | 0.38861 (6) | 0.0376 (3) | |
| C8 | 0.44177 (8) | 0.29459 (17) | 0.39456 (6) | 0.0350 (3) | |
| H8 | 0.4074 | 0.1878 | 0.3845 | 0.042* | |
| C9 | 0.46055 (8) | 0.61883 (17) | 0.43044 (6) | 0.0354 (3) | |
| C10 | 0.40728 (7) | 0.46095 (16) | 0.41582 (5) | 0.0327 (3) | |
| C11 | 0.26389 (7) | 0.31006 (17) | 0.41439 (6) | 0.0341 (3) | |
| C12 | 0.21077 (8) | 0.27099 (18) | 0.35081 (6) | 0.0386 (3) | |
| C13 | 0.16406 (9) | 0.1071 (2) | 0.34343 (7) | 0.0495 (3) | |
| H13 | 0.1692 | 0.0191 | 0.3780 | 0.059* | |
| C14 | 0.11042 (10) | 0.0725 (3) | 0.28590 (8) | 0.0637 (5) | |
| H14 | 0.0785 | −0.0391 | 0.2809 | 0.076* | |
| C15 | 0.10333 (11) | 0.1994 (3) | 0.23606 (8) | 0.0713 (5) | |
| H15 | 0.0652 | 0.1768 | 0.1970 | 0.086* | |
| C16 | 0.15089 (12) | 0.3593 (3) | 0.24206 (8) | 0.0729 (5) | |
| H16 | 0.1466 | 0.4446 | 0.2067 | 0.088* | |
| C17 | 0.20496 (10) | 0.3964 (2) | 0.29958 (7) | 0.0544 (4) | |
| H17 | 0.2377 | 0.5068 | 0.3038 | 0.065* | |
| C18 | 0.17106 (9) | 0.68610 (19) | 0.49101 (7) | 0.0450 (3) | |
| C19 | 0.07915 (8) | 0.71619 (18) | 0.47694 (7) | 0.0413 (3) | |
| C20 | 0.03506 (8) | 0.72662 (19) | 0.41374 (7) | 0.0433 (3) | |
| H20 | 0.0637 | 0.7108 | 0.3775 | 0.052* | |
| C21 | −0.05051 (9) | 0.7600 (2) | 0.40370 (8) | 0.0506 (4) | |
| H21 | −0.0807 | 0.7679 | 0.3605 | 0.061* | |
| C22 | −0.09207 (9) | 0.7819 (2) | 0.45659 (8) | 0.0556 (4) | |
| H22 | −0.1507 | 0.8059 | 0.4497 | 0.067* | |
| C23 | −0.04879 (10) | 0.7690 (2) | 0.51924 (8) | 0.0560 (4) | |
| H23 | −0.0778 | 0.7826 | 0.5554 | 0.067* | |
| C24 | 0.03664 (10) | 0.7363 (2) | 0.52965 (7) | 0.0505 (4) | |
| H24 | 0.0664 | 0.7276 | 0.5730 | 0.061* | |
| C25 | 0.56198 (8) | 0.0984 (2) | 0.30540 (6) | 0.0439 (3) | |
| C26 | 0.61134 (8) | −0.06865 (19) | 0.29340 (6) | 0.0415 (3) | |
| C27 | 0.59531 (11) | −0.1511 (2) | 0.23219 (8) | 0.0579 (4) | |
| H27 | 0.5543 | −0.0993 | 0.1991 | 0.069* | |
| C28 | 0.63909 (12) | −0.3084 (2) | 0.21950 (9) | 0.0670 (5) | |
| H28 | 0.6277 | −0.3655 | 0.1777 | 0.080* | |
| C29 | 0.69917 (10) | −0.3831 (2) | 0.26699 (8) | 0.0577 (4) | |
| H29 | 0.7287 | −0.4921 | 0.2581 | 0.069* | |
| C30 | 0.71647 (9) | −0.2999 (2) | 0.32736 (8) | 0.0500 (4) | |
| H30 | 0.7587 | −0.3505 | 0.3598 | 0.060* | |
| C31 | 0.67265 (8) | −0.1426 (2) | 0.34107 (7) | 0.0440 (3) | |
| H31 | 0.6845 | −0.0857 | 0.3829 | 0.053* |
| O1 | 0.0459 (5) | 0.0411 (5) | 0.0436 (5) | 0.0008 (4) | 0.0050 (4) | 0.0052 (4) |
| O2 | 0.0361 (5) | 0.0463 (5) | 0.0443 (5) | 0.0103 (4) | 0.0037 (4) | −0.0065 (4) |
| O3 | 0.0498 (6) | 0.1293 (12) | 0.0434 (6) | 0.0096 (7) | 0.0000 (5) | 0.0035 (6) |
| O4 | 0.0428 (5) | 0.0494 (5) | 0.0397 (5) | 0.0133 (4) | 0.0120 (4) | 0.0041 (4) |
| O5 | 0.1021 (9) | 0.0679 (7) | 0.0420 (6) | 0.0397 (7) | 0.0066 (6) | 0.0050 (5) |
| C1 | 0.0337 (6) | 0.0344 (6) | 0.0314 (6) | 0.0018 (5) | 0.0014 (5) | −0.0007 (5) |
| C2 | 0.0354 (6) | 0.0390 (7) | 0.0376 (6) | 0.0052 (5) | 0.0020 (5) | −0.0014 (5) |
| C3 | 0.0509 (8) | 0.0329 (6) | 0.0413 (7) | 0.0048 (5) | 0.0015 (6) | −0.0033 (5) |
| C4 | 0.0486 (8) | 0.0346 (7) | 0.0359 (6) | −0.0053 (5) | −0.0009 (5) | −0.0003 (5) |
| C5 | 0.0384 (7) | 0.0480 (7) | 0.0351 (6) | −0.0088 (6) | 0.0022 (5) | 0.0047 (5) |
| C6 | 0.0334 (6) | 0.0551 (8) | 0.0398 (7) | −0.0001 (6) | 0.0074 (5) | 0.0081 (6) |
| C7 | 0.0379 (7) | 0.0433 (7) | 0.0320 (6) | 0.0068 (5) | 0.0063 (5) | 0.0042 (5) |
| C8 | 0.0348 (6) | 0.0366 (6) | 0.0330 (6) | 0.0007 (5) | 0.0037 (5) | 0.0006 (5) |
| C9 | 0.0387 (7) | 0.0372 (6) | 0.0291 (6) | −0.0037 (5) | 0.0013 (5) | 0.0027 (5) |
| C10 | 0.0338 (6) | 0.0356 (6) | 0.0276 (6) | 0.0004 (5) | 0.0016 (5) | 0.0016 (5) |
| C11 | 0.0299 (6) | 0.0349 (6) | 0.0379 (6) | 0.0056 (5) | 0.0067 (5) | −0.0023 (5) |
| C12 | 0.0328 (6) | 0.0457 (7) | 0.0380 (7) | −0.0004 (5) | 0.0074 (5) | −0.0069 (5) |
| C13 | 0.0448 (8) | 0.0523 (8) | 0.0518 (8) | −0.0068 (6) | 0.0090 (6) | −0.0134 (7) |
| C14 | 0.0525 (9) | 0.0782 (11) | 0.0598 (10) | −0.0155 (8) | 0.0068 (7) | −0.0281 (9) |
| C15 | 0.0553 (10) | 0.1101 (15) | 0.0453 (9) | −0.0065 (10) | −0.0017 (7) | −0.0271 (10) |
| C16 | 0.0739 (12) | 0.1018 (15) | 0.0393 (8) | −0.0034 (11) | −0.0025 (8) | 0.0056 (9) |
| C17 | 0.0519 (8) | 0.0668 (10) | 0.0429 (8) | −0.0090 (7) | 0.0031 (6) | 0.0021 (7) |
| C18 | 0.0459 (8) | 0.0463 (7) | 0.0427 (7) | 0.0049 (6) | 0.0062 (6) | −0.0003 (6) |
| C19 | 0.0418 (7) | 0.0378 (7) | 0.0448 (7) | 0.0010 (5) | 0.0080 (6) | −0.0022 (5) |
| C20 | 0.0412 (7) | 0.0434 (7) | 0.0459 (7) | 0.0023 (6) | 0.0086 (6) | −0.0019 (6) |
| C21 | 0.0415 (7) | 0.0532 (8) | 0.0559 (9) | 0.0024 (6) | 0.0045 (6) | −0.0015 (7) |
| C22 | 0.0404 (8) | 0.0544 (9) | 0.0736 (10) | 0.0009 (6) | 0.0138 (7) | −0.0081 (8) |
| C23 | 0.0528 (9) | 0.0593 (9) | 0.0610 (9) | −0.0033 (7) | 0.0246 (7) | −0.0117 (7) |
| C24 | 0.0519 (8) | 0.0538 (8) | 0.0470 (8) | −0.0025 (7) | 0.0118 (7) | −0.0054 (6) |
| C25 | 0.0435 (7) | 0.0481 (7) | 0.0406 (7) | 0.0051 (6) | 0.0085 (6) | 0.0029 (6) |
| C26 | 0.0393 (7) | 0.0436 (7) | 0.0440 (7) | 0.0022 (6) | 0.0141 (6) | 0.0034 (6) |
| C27 | 0.0674 (10) | 0.0573 (9) | 0.0478 (8) | 0.0123 (8) | 0.0061 (7) | −0.0009 (7) |
| C28 | 0.0854 (13) | 0.0589 (10) | 0.0574 (10) | 0.0143 (9) | 0.0130 (9) | −0.0116 (8) |
| C29 | 0.0600 (9) | 0.0462 (8) | 0.0724 (11) | 0.0096 (7) | 0.0273 (8) | −0.0001 (7) |
| C30 | 0.0385 (7) | 0.0516 (8) | 0.0625 (9) | 0.0070 (6) | 0.0156 (7) | 0.0083 (7) |
| C31 | 0.0370 (7) | 0.0489 (8) | 0.0480 (8) | 0.0009 (6) | 0.0130 (6) | 0.0029 (6) |
| O1—C11 | 1.2180 (15) | C14—H14 | 0.9500 |
| O2—C18 | 1.3653 (17) | C15—C16 | 1.377 (3) |
| O2—C2 | 1.4047 (15) | C15—H15 | 0.9500 |
| O3—C18 | 1.1938 (17) | C16—C17 | 1.386 (2) |
| O4—C25 | 1.3594 (16) | C16—H16 | 0.9500 |
| O4—C7 | 1.4041 (15) | C17—H17 | 0.9500 |
| O5—C25 | 1.1957 (16) | C18—C19 | 1.4805 (19) |
| C1—C2 | 1.3602 (17) | C19—C24 | 1.387 (2) |
| C1—C10 | 1.4243 (17) | C19—C20 | 1.3897 (19) |
| C1—C11 | 1.5093 (17) | C20—C21 | 1.3837 (19) |
| C2—C3 | 1.4046 (18) | C20—H20 | 0.9500 |
| C3—C4 | 1.363 (2) | C21—C22 | 1.382 (2) |
| C3—H3 | 0.9500 | C21—H21 | 0.9500 |
| C4—C9 | 1.4126 (18) | C22—C23 | 1.376 (2) |
| C4—H4 | 0.9500 | C22—H22 | 0.9500 |
| C5—C6 | 1.363 (2) | C23—C24 | 1.381 (2) |
| C5—C9 | 1.4136 (18) | C23—H23 | 0.9500 |
| C5—H5 | 0.9500 | C24—H24 | 0.9500 |
| C6—C7 | 1.4021 (19) | C25—C26 | 1.4832 (19) |
| C6—H6 | 0.9500 | C26—C27 | 1.387 (2) |
| C7—C8 | 1.3616 (18) | C26—C31 | 1.3876 (18) |
| C8—C10 | 1.4182 (17) | C27—C28 | 1.381 (2) |
| C8—H8 | 0.9500 | C27—H27 | 0.9500 |
| C9—C10 | 1.4262 (17) | C28—C29 | 1.375 (2) |
| C11—C12 | 1.4800 (17) | C28—H28 | 0.9500 |
| C12—C17 | 1.384 (2) | C29—C30 | 1.375 (2) |
| C12—C13 | 1.3934 (19) | C29—H29 | 0.9500 |
| C13—C14 | 1.380 (2) | C30—C31 | 1.386 (2) |
| C13—H13 | 0.9500 | C30—H30 | 0.9500 |
| C14—C15 | 1.369 (3) | C31—H31 | 0.9500 |
| C18—O2—C2 | 119.17 (10) | C15—C16—H16 | 119.9 |
| C25—O4—C7 | 117.01 (10) | C17—C16—H16 | 119.9 |
| C2—C1—C10 | 119.22 (11) | C12—C17—C16 | 119.43 (15) |
| C2—C1—C11 | 119.88 (11) | C12—C17—H17 | 120.3 |
| C10—C1—C11 | 120.75 (10) | C16—C17—H17 | 120.3 |
| C1—C2—C3 | 122.96 (12) | O3—C18—O2 | 122.35 (13) |
| C1—C2—O2 | 117.29 (11) | O3—C18—C19 | 126.61 (14) |
| C3—C2—O2 | 119.51 (11) | O2—C18—C19 | 111.04 (11) |
| C4—C3—C2 | 118.48 (12) | C24—C19—C20 | 119.62 (13) |
| C4—C3—H3 | 120.8 | C24—C19—C18 | 117.73 (13) |
| C2—C3—H3 | 120.8 | C20—C19—C18 | 122.65 (13) |
| C3—C4—C9 | 121.57 (12) | C21—C20—C19 | 119.96 (13) |
| C3—C4—H4 | 119.2 | C21—C20—H20 | 120.0 |
| C9—C4—H4 | 119.2 | C19—C20—H20 | 120.0 |
| C6—C5—C9 | 121.36 (12) | C22—C21—C20 | 119.92 (14) |
| C6—C5—H5 | 119.3 | C22—C21—H21 | 120.0 |
| C9—C5—H5 | 119.3 | C20—C21—H21 | 120.0 |
| C5—C6—C7 | 118.93 (12) | C23—C22—C21 | 120.25 (14) |
| C5—C6—H6 | 120.5 | C23—C22—H22 | 119.9 |
| C7—C6—H6 | 120.5 | C21—C22—H22 | 119.9 |
| C8—C7—C6 | 122.50 (12) | C22—C23—C24 | 120.17 (15) |
| C8—C7—O4 | 120.02 (11) | C22—C23—H23 | 119.9 |
| C6—C7—O4 | 117.35 (11) | C24—C23—H23 | 119.9 |
| C7—C8—C10 | 119.43 (11) | C23—C24—C19 | 120.08 (14) |
| C7—C8—H8 | 120.3 | C23—C24—H24 | 120.0 |
| C10—C8—H8 | 120.3 | C19—C24—H24 | 120.0 |
| C4—C9—C5 | 122.07 (11) | O5—C25—O4 | 122.70 (13) |
| C4—C9—C10 | 119.10 (11) | O5—C25—C26 | 125.71 (13) |
| C5—C9—C10 | 118.82 (11) | O4—C25—C26 | 111.58 (11) |
| C8—C10—C1 | 122.46 (11) | C27—C26—C31 | 119.74 (13) |
| C8—C10—C9 | 118.92 (11) | C27—C26—C25 | 118.19 (12) |
| C1—C10—C9 | 118.60 (11) | C31—C26—C25 | 122.08 (12) |
| O1—C11—C12 | 122.06 (11) | C28—C27—C26 | 119.85 (15) |
| O1—C11—C1 | 118.18 (11) | C28—C27—H27 | 120.1 |
| C12—C11—C1 | 119.75 (11) | C26—C27—H27 | 120.1 |
| C17—C12—C13 | 119.77 (13) | C29—C28—C27 | 120.41 (16) |
| C17—C12—C11 | 121.24 (12) | C29—C28—H28 | 119.8 |
| C13—C12—C11 | 118.96 (12) | C27—C28—H28 | 119.8 |
| C14—C13—C12 | 120.03 (15) | C30—C29—C28 | 119.99 (14) |
| C14—C13—H13 | 120.0 | C30—C29—H29 | 120.0 |
| C12—C13—H13 | 120.0 | C28—C29—H29 | 120.0 |
| C15—C14—C13 | 119.88 (16) | C29—C30—C31 | 120.33 (14) |
| C15—C14—H14 | 120.1 | C29—C30—H30 | 119.8 |
| C13—C14—H14 | 120.1 | C31—C30—H30 | 119.8 |
| C14—C15—C16 | 120.63 (15) | C30—C31—C26 | 119.66 (14) |
| C14—C15—H15 | 119.7 | C30—C31—H31 | 120.2 |
| C16—C15—H15 | 119.7 | C26—C31—H31 | 120.2 |
| C15—C16—C17 | 120.21 (17) | ||
| C10—C1—C2—C3 | −2.69 (19) | C1—C11—C12—C13 | 174.58 (12) |
| C11—C1—C2—C3 | 172.90 (11) | C17—C12—C13—C14 | −1.8 (2) |
| C10—C1—C2—O2 | 171.67 (10) | C11—C12—C13—C14 | 176.31 (13) |
| C11—C1—C2—O2 | −12.74 (17) | C12—C13—C14—C15 | 0.1 (2) |
| C18—O2—C2—C1 | 112.74 (13) | C13—C14—C15—C16 | 1.7 (3) |
| C18—O2—C2—C3 | −72.69 (16) | C14—C15—C16—C17 | −1.8 (3) |
| C1—C2—C3—C4 | 0.7 (2) | C13—C12—C17—C16 | 1.7 (2) |
| O2—C2—C3—C4 | −173.51 (11) | C11—C12—C17—C16 | −176.40 (14) |
| C2—C3—C4—C9 | 1.19 (19) | C15—C16—C17—C12 | 0.1 (3) |
| C9—C5—C6—C7 | −0.61 (19) | C2—O2—C18—O3 | −4.3 (2) |
| C5—C6—C7—C8 | −1.32 (19) | C2—O2—C18—C19 | 175.60 (11) |
| C5—C6—C7—O4 | −177.23 (11) | O3—C18—C19—C24 | −2.1 (2) |
| C25—O4—C7—C8 | 92.97 (14) | O2—C18—C19—C24 | 178.03 (12) |
| C25—O4—C7—C6 | −91.01 (14) | O3—C18—C19—C20 | 177.25 (16) |
| C6—C7—C8—C10 | 1.59 (18) | O2—C18—C19—C20 | −2.63 (18) |
| O4—C7—C8—C10 | 177.40 (10) | C24—C19—C20—C21 | 1.1 (2) |
| C3—C4—C9—C5 | 178.27 (12) | C18—C19—C20—C21 | −178.25 (13) |
| C3—C4—C9—C10 | −1.06 (18) | C19—C20—C21—C22 | −0.4 (2) |
| C6—C5—C9—C4 | −177.17 (12) | C20—C21—C22—C23 | −0.5 (2) |
| C6—C5—C9—C10 | 2.16 (18) | C21—C22—C23—C24 | 0.8 (2) |
| C7—C8—C10—C1 | 178.38 (11) | C22—C23—C24—C19 | 0.0 (2) |
| C7—C8—C10—C9 | 0.03 (17) | C20—C19—C24—C23 | −0.9 (2) |
| C2—C1—C10—C8 | −175.64 (11) | C18—C19—C24—C23 | 178.49 (14) |
| C11—C1—C10—C8 | 8.81 (17) | C7—O4—C25—O5 | −8.6 (2) |
| C2—C1—C10—C9 | 2.72 (17) | C7—O4—C25—C26 | 172.23 (11) |
| C11—C1—C10—C9 | −172.83 (10) | O5—C25—C26—C27 | −21.8 (2) |
| C4—C9—C10—C8 | 177.51 (10) | O4—C25—C26—C27 | 157.33 (13) |
| C5—C9—C10—C8 | −1.84 (16) | O5—C25—C26—C31 | 157.80 (16) |
| C4—C9—C10—C1 | −0.91 (16) | O4—C25—C26—C31 | −23.11 (18) |
| C5—C9—C10—C1 | 179.74 (10) | C31—C26—C27—C28 | 1.4 (2) |
| C2—C1—C11—O1 | −92.16 (14) | C25—C26—C27—C28 | −179.01 (15) |
| C10—C1—C11—O1 | 83.36 (14) | C26—C27—C28—C29 | −0.6 (3) |
| C2—C1—C11—C12 | 87.46 (14) | C27—C28—C29—C30 | −0.6 (3) |
| C10—C1—C11—C12 | −97.02 (13) | C28—C29—C30—C31 | 1.1 (2) |
| O1—C11—C12—C17 | 172.31 (13) | C29—C30—C31—C26 | −0.3 (2) |
| C1—C11—C12—C17 | −7.30 (18) | C27—C26—C31—C30 | −0.9 (2) |
| O1—C11—C12—C13 | −5.81 (18) | C25—C26—C31—C30 | 179.50 (12) |
| H··· | ||||
| C3—H3···O1i | 0.95 | 2.30 | 3.2183 (16) | 164 |
| C14—H14···O5ii | 0.95 | 2.60 | 3.520 (2) | 164 |
| C29—H29··· | 0.95 | 2.72 | 3.6396 (18) | 162 |
| C15—H15··· | 0.95 | 2.78 | 3.6397 (19) | 150 |
Hydrogen-bond geometry (Å, °)
Cg1 and Cg2 are the centroids of the C26–C31 and C5–C10 rings, respectively.
|
|
| H⋯ |
|
|
|---|---|---|---|---|
| C3—H3⋯O1i | 0.95 | 2.30 | 3.2183 (16) | 164 |
| C14—H14⋯O5ii | 0.95 | 2.60 | 3.520 (2) | 164 |
| C29—H29⋯ | 0.95 | 2.72 | 3.6396 (18) | 162 |
| C15—H15⋯ | 0.95 | 2.78 | 3.6397 (19) | 150 |
Symmetry codes: (i) ; (ii) ; (iii) .