| Literature DB >> 22590420 |
Hoong-Kun Fun, Tze Shyang Chia, S Samshuddin, B Narayana, B K Sarojini.
Abstract
In the title compound, C(28)H(18)F(4)O(2), the central benzene ring makes dihedral angles of 44.27 (6), 56.33 (5) and 77.27 (6)° with the two adjacent fluoro-benzene rings and terminal difluoro-substituted benzene ring, respectively. The dihedral angle between the fluoro-benzene rings is 87.81 (6)°. The meth-oxy and prop-2-en-1-one groups are essentially coplanar with their attached benzene rings, as indicated by their C-O-C(ar)-C(ar) [-0.06 (15)°] and C-C-C(ar)-C(ar) [4.5 (2)°] (ar = aromatic) torsion angles. In the crystal, mol-ecules are linked by C-H⋯F and C-H⋯O hydrogen bonds into sheets lying parallel to the ac plane. The crystal structure also features C-H⋯π inter-actions.Entities:
Year: 2012 PMID: 22590420 PMCID: PMC3344658 DOI: 10.1107/S160053681201820X
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| C28H18F4O2 | |
| Triclinic, | |
| Hall symbol: -P 1 | Mo |
| Cell parameters from 7563 reflections | |
| θ = 2.3–32.4° | |
| µ = 0.11 mm−1 | |
| α = 67.780 (1)° | |
| β = 86.776 (1)° | Block, colourless |
| γ = 85.293 (1)° | 0.25 × 0.20 × 0.11 mm |
| Bruker APEX Duo CCD diffractometer | 8063 independent reflections |
| Radiation source: fine-focus sealed tube | 6097 reflections with |
| Graphite monochromator | |
| φ and ω scans | θmax = 32.5°, θmin = 1.7° |
| Absorption correction: multi-scan ( | |
| 28220 measured reflections |
| Refinement on | Primary atom site location: structure-invariant direct methods |
| Least-squares matrix: full | Secondary atom site location: difference Fourier map |
| Hydrogen site location: inferred from neighbouring sites | |
| H-atom parameters constrained | |
| 8063 reflections | (Δ/σ)max < 0.001 |
| 308 parameters | Δρmax = 0.40 e Å−3 |
| 0 restraints | Δρmin = −0.35 e Å−3 |
| Experimental. The crystal was placed in the cold stream of an Oxford Cryosystems Cobra open-flow nitrogen cryostat (Cosier & Glazer, 1986) operating at 100.0 (1) K. |
| 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 |
| F1 | 0.17366 (10) | 0.87097 (10) | −0.57879 (6) | 0.03431 (19) | |
| F2 | 0.40523 (9) | 0.37977 (9) | 0.20352 (6) | 0.03302 (19) | |
| F3 | 0.15771 (9) | 0.45771 (9) | 0.49909 (6) | 0.03172 (19) | |
| F4 | 0.54429 (8) | 0.99409 (9) | 0.24888 (6) | 0.02763 (17) | |
| O1 | −0.18938 (9) | 0.62125 (9) | 0.08627 (7) | 0.02127 (17) | |
| O2 | −0.12638 (9) | 0.79463 (9) | 0.21502 (7) | 0.02271 (17) | |
| C1 | 0.09479 (14) | 0.69493 (13) | −0.29224 (10) | 0.0227 (2) | |
| H1A | 0.0711 | 0.6060 | −0.2430 | 0.027* | |
| C2 | 0.11646 (14) | 0.71665 (14) | −0.40139 (10) | 0.0261 (2) | |
| H2A | 0.1074 | 0.6437 | −0.4259 | 0.031* | |
| C3 | 0.15174 (13) | 0.84918 (14) | −0.47200 (9) | 0.0240 (2) | |
| C4 | 0.16684 (13) | 0.96077 (13) | −0.43948 (9) | 0.0221 (2) | |
| H4A | 0.1912 | 1.0490 | −0.4895 | 0.027* | |
| C5 | 0.14462 (12) | 0.93777 (12) | −0.32982 (9) | 0.0187 (2) | |
| H5A | 0.1542 | 1.0113 | −0.3061 | 0.022* | |
| C6 | 0.10798 (12) | 0.80452 (11) | −0.25527 (8) | 0.01738 (19) | |
| C7 | 0.08139 (12) | 0.78028 (11) | −0.13880 (9) | 0.01654 (19) | |
| C8 | 0.17578 (12) | 0.83272 (11) | −0.08525 (8) | 0.01669 (19) | |
| H8A | 0.2581 | 0.8809 | −0.1224 | 0.020* | |
| C9 | 0.14842 (11) | 0.81386 (11) | 0.02356 (8) | 0.01554 (18) | |
| C10 | 0.02237 (11) | 0.74476 (11) | 0.07864 (8) | 0.01598 (19) | |
| C11 | −0.07150 (11) | 0.68975 (11) | 0.02521 (9) | 0.01676 (19) | |
| C12 | −0.04140 (12) | 0.70569 (11) | −0.08225 (9) | 0.01702 (19) | |
| H12A | −0.1025 | 0.6670 | −0.1165 | 0.020* | |
| C13 | −0.01691 (11) | 0.72807 (11) | 0.19450 (9) | 0.01693 (19) | |
| C14 | 0.07608 (12) | 0.62893 (12) | 0.28288 (9) | 0.0188 (2) | |
| H14A | 0.0601 | 0.6290 | 0.3524 | 0.023* | |
| C15 | 0.18306 (12) | 0.53861 (11) | 0.26616 (9) | 0.0178 (2) | |
| H15A | 0.2000 | 0.5474 | 0.1945 | 0.021* | |
| C16 | 0.27629 (12) | 0.42826 (12) | 0.34593 (9) | 0.0182 (2) | |
| C17 | 0.26488 (13) | 0.38889 (13) | 0.45849 (9) | 0.0218 (2) | |
| C18 | 0.35385 (14) | 0.28272 (14) | 0.53126 (10) | 0.0256 (2) | |
| H18A | 0.3412 | 0.2608 | 0.6054 | 0.031* | |
| C19 | 0.46305 (14) | 0.20924 (14) | 0.49095 (10) | 0.0279 (3) | |
| H19A | 0.5247 | 0.1377 | 0.5386 | 0.033* | |
| C20 | 0.48077 (14) | 0.24180 (14) | 0.38016 (10) | 0.0275 (3) | |
| H20A | 0.5533 | 0.1927 | 0.3528 | 0.033* | |
| C21 | 0.38792 (13) | 0.34881 (13) | 0.31183 (9) | 0.0221 (2) | |
| C22 | 0.25400 (11) | 0.86676 (11) | 0.07971 (8) | 0.01586 (19) | |
| C23 | 0.40626 (12) | 0.82182 (12) | 0.08352 (9) | 0.0199 (2) | |
| H23A | 0.4414 | 0.7629 | 0.0474 | 0.024* | |
| C24 | 0.50582 (12) | 0.86360 (13) | 0.14022 (9) | 0.0224 (2) | |
| H24A | 0.6066 | 0.8328 | 0.1435 | 0.027* | |
| C25 | 0.44924 (12) | 0.95271 (12) | 0.19155 (9) | 0.0201 (2) | |
| C26 | 0.30110 (13) | 1.00312 (12) | 0.18763 (9) | 0.0202 (2) | |
| H26A | 0.2678 | 1.0650 | 0.2217 | 0.024* | |
| C27 | 0.20311 (12) | 0.95877 (11) | 0.13136 (9) | 0.0182 (2) | |
| H27A | 0.1026 | 0.9908 | 0.1281 | 0.022* | |
| C28 | −0.28775 (13) | 0.56257 (13) | 0.03620 (10) | 0.0231 (2) | |
| H28A | −0.3641 | 0.5157 | 0.0877 | 0.035* | |
| H28B | −0.2319 | 0.4955 | 0.0117 | 0.035* | |
| H28C | −0.3334 | 0.6371 | −0.0245 | 0.035* |
| F1 | 0.0361 (4) | 0.0511 (5) | 0.0166 (3) | −0.0008 (4) | 0.0005 (3) | −0.0142 (3) |
| F2 | 0.0317 (4) | 0.0454 (5) | 0.0188 (3) | 0.0145 (3) | −0.0004 (3) | −0.0119 (3) |
| F3 | 0.0370 (4) | 0.0357 (4) | 0.0187 (3) | 0.0152 (3) | 0.0003 (3) | −0.0097 (3) |
| F4 | 0.0223 (3) | 0.0393 (4) | 0.0230 (3) | −0.0097 (3) | −0.0061 (3) | −0.0114 (3) |
| O1 | 0.0178 (4) | 0.0265 (4) | 0.0193 (4) | −0.0074 (3) | 0.0010 (3) | −0.0073 (3) |
| O2 | 0.0168 (4) | 0.0280 (4) | 0.0234 (4) | 0.0035 (3) | −0.0005 (3) | −0.0108 (3) |
| C1 | 0.0253 (5) | 0.0232 (5) | 0.0213 (5) | −0.0032 (4) | −0.0009 (4) | −0.0099 (4) |
| C2 | 0.0286 (6) | 0.0317 (6) | 0.0230 (5) | −0.0022 (5) | −0.0014 (4) | −0.0160 (5) |
| C3 | 0.0204 (5) | 0.0365 (6) | 0.0152 (5) | 0.0014 (4) | −0.0014 (4) | −0.0105 (4) |
| C4 | 0.0188 (5) | 0.0264 (5) | 0.0177 (5) | 0.0002 (4) | −0.0017 (4) | −0.0046 (4) |
| C5 | 0.0164 (4) | 0.0209 (5) | 0.0180 (5) | −0.0001 (4) | −0.0020 (4) | −0.0064 (4) |
| C6 | 0.0151 (4) | 0.0207 (5) | 0.0164 (4) | −0.0002 (3) | −0.0016 (3) | −0.0070 (4) |
| C7 | 0.0160 (4) | 0.0169 (4) | 0.0166 (4) | 0.0005 (3) | −0.0018 (3) | −0.0063 (4) |
| C8 | 0.0144 (4) | 0.0188 (4) | 0.0165 (4) | −0.0007 (3) | −0.0003 (3) | −0.0063 (4) |
| C9 | 0.0125 (4) | 0.0172 (4) | 0.0167 (4) | 0.0013 (3) | −0.0018 (3) | −0.0063 (4) |
| C10 | 0.0141 (4) | 0.0173 (4) | 0.0156 (4) | 0.0011 (3) | −0.0019 (3) | −0.0054 (4) |
| C11 | 0.0145 (4) | 0.0170 (4) | 0.0173 (4) | −0.0007 (3) | −0.0008 (3) | −0.0048 (4) |
| C12 | 0.0160 (4) | 0.0179 (4) | 0.0174 (4) | −0.0012 (3) | −0.0023 (3) | −0.0067 (4) |
| C13 | 0.0145 (4) | 0.0187 (4) | 0.0178 (5) | −0.0014 (3) | −0.0007 (3) | −0.0070 (4) |
| C14 | 0.0175 (5) | 0.0228 (5) | 0.0156 (4) | 0.0006 (4) | −0.0010 (4) | −0.0070 (4) |
| C15 | 0.0167 (4) | 0.0201 (5) | 0.0157 (4) | −0.0007 (4) | −0.0011 (3) | −0.0056 (4) |
| C16 | 0.0161 (4) | 0.0210 (5) | 0.0169 (5) | 0.0000 (4) | −0.0010 (4) | −0.0067 (4) |
| C17 | 0.0215 (5) | 0.0239 (5) | 0.0191 (5) | 0.0035 (4) | −0.0005 (4) | −0.0081 (4) |
| C18 | 0.0260 (6) | 0.0292 (6) | 0.0180 (5) | 0.0046 (4) | −0.0031 (4) | −0.0058 (4) |
| C19 | 0.0242 (6) | 0.0306 (6) | 0.0235 (6) | 0.0067 (5) | −0.0042 (4) | −0.0053 (5) |
| C20 | 0.0220 (5) | 0.0328 (6) | 0.0239 (6) | 0.0095 (5) | −0.0010 (4) | −0.0086 (5) |
| C21 | 0.0190 (5) | 0.0283 (5) | 0.0173 (5) | 0.0034 (4) | −0.0003 (4) | −0.0079 (4) |
| C22 | 0.0130 (4) | 0.0187 (4) | 0.0149 (4) | −0.0010 (3) | −0.0015 (3) | −0.0050 (4) |
| C23 | 0.0145 (4) | 0.0244 (5) | 0.0213 (5) | 0.0008 (4) | −0.0011 (4) | −0.0094 (4) |
| C24 | 0.0130 (4) | 0.0305 (6) | 0.0222 (5) | −0.0002 (4) | −0.0033 (4) | −0.0082 (4) |
| C25 | 0.0180 (5) | 0.0254 (5) | 0.0158 (4) | −0.0059 (4) | −0.0043 (4) | −0.0050 (4) |
| C26 | 0.0206 (5) | 0.0220 (5) | 0.0192 (5) | −0.0026 (4) | −0.0009 (4) | −0.0087 (4) |
| C27 | 0.0147 (4) | 0.0203 (5) | 0.0194 (5) | 0.0008 (3) | −0.0024 (3) | −0.0072 (4) |
| C28 | 0.0171 (5) | 0.0268 (5) | 0.0276 (6) | −0.0058 (4) | −0.0004 (4) | −0.0117 (5) |
| F1—C3 | 1.3602 (13) | C13—C14 | 1.4756 (15) |
| F2—C21 | 1.3585 (13) | C14—C15 | 1.3440 (15) |
| F3—C17 | 1.3519 (13) | C14—H14A | 0.9300 |
| F4—C25 | 1.3656 (13) | C15—C16 | 1.4621 (15) |
| O1—C11 | 1.3645 (13) | C15—H15A | 0.9300 |
| O1—C28 | 1.4274 (14) | C16—C17 | 1.3985 (15) |
| O2—C13 | 1.2249 (13) | C16—C21 | 1.4002 (15) |
| C1—C2 | 1.3908 (16) | C17—C18 | 1.3791 (16) |
| C1—C6 | 1.3981 (16) | C18—C19 | 1.3910 (17) |
| C1—H1A | 0.9300 | C18—H18A | 0.9300 |
| C2—C3 | 1.3751 (18) | C19—C20 | 1.3882 (17) |
| C2—H2A | 0.9300 | C19—H19A | 0.9300 |
| C3—C4 | 1.3823 (18) | C20—C21 | 1.3782 (16) |
| C4—C5 | 1.3951 (15) | C20—H20A | 0.9300 |
| C4—H4A | 0.9300 | C22—C27 | 1.3958 (15) |
| C5—C6 | 1.4003 (15) | C22—C23 | 1.4010 (14) |
| C5—H5A | 0.9300 | C23—C24 | 1.3897 (16) |
| C6—C7 | 1.4850 (15) | C23—H23A | 0.9300 |
| C7—C8 | 1.3939 (15) | C24—C25 | 1.3819 (17) |
| C7—C12 | 1.4034 (15) | C24—H24A | 0.9300 |
| C8—C9 | 1.3990 (14) | C25—C26 | 1.3805 (16) |
| C8—H8A | 0.9300 | C26—C27 | 1.3912 (15) |
| C9—C10 | 1.3996 (14) | C26—H26A | 0.9300 |
| C9—C22 | 1.4888 (15) | C27—H27A | 0.9300 |
| C10—C11 | 1.4064 (15) | C28—H28A | 0.9600 |
| C10—C13 | 1.5123 (14) | C28—H28B | 0.9600 |
| C11—C12 | 1.3921 (15) | C28—H28C | 0.9600 |
| C12—H12A | 0.9300 | ||
| C11—O1—C28 | 117.58 (9) | C14—C15—H15A | 115.8 |
| C2—C1—C6 | 121.10 (11) | C16—C15—H15A | 115.8 |
| C2—C1—H1A | 119.5 | C17—C16—C21 | 113.73 (10) |
| C6—C1—H1A | 119.5 | C17—C16—C15 | 126.22 (10) |
| C3—C2—C1 | 118.01 (11) | C21—C16—C15 | 120.04 (10) |
| C3—C2—H2A | 121.0 | F3—C17—C18 | 117.61 (10) |
| C1—C2—H2A | 121.0 | F3—C17—C16 | 117.92 (10) |
| F1—C3—C2 | 118.31 (11) | C18—C17—C16 | 124.46 (10) |
| F1—C3—C4 | 118.56 (11) | C17—C18—C19 | 118.36 (11) |
| C2—C3—C4 | 123.13 (11) | C17—C18—H18A | 120.8 |
| C3—C4—C5 | 118.34 (11) | C19—C18—H18A | 120.8 |
| C3—C4—H4A | 120.8 | C20—C19—C18 | 120.55 (11) |
| C5—C4—H4A | 120.8 | C20—C19—H19A | 119.7 |
| C4—C5—C6 | 120.35 (11) | C18—C19—H19A | 119.7 |
| C4—C5—H5A | 119.8 | C21—C20—C19 | 118.19 (11) |
| C6—C5—H5A | 119.8 | C21—C20—H20A | 120.9 |
| C1—C6—C5 | 119.07 (10) | C19—C20—H20A | 120.9 |
| C1—C6—C7 | 120.38 (10) | F2—C21—C20 | 117.95 (10) |
| C5—C6—C7 | 120.55 (10) | F2—C21—C16 | 117.34 (10) |
| C8—C7—C12 | 119.51 (10) | C20—C21—C16 | 124.70 (11) |
| C8—C7—C6 | 120.74 (9) | C27—C22—C23 | 118.94 (10) |
| C12—C7—C6 | 119.75 (10) | C27—C22—C9 | 120.92 (9) |
| C7—C8—C9 | 120.89 (10) | C23—C22—C9 | 120.12 (9) |
| C7—C8—H8A | 119.6 | C24—C23—C22 | 121.32 (10) |
| C9—C8—H8A | 119.6 | C24—C23—H23A | 119.3 |
| C8—C9—C10 | 119.59 (10) | C22—C23—H23A | 119.3 |
| C8—C9—C22 | 119.71 (9) | C25—C24—C23 | 117.43 (10) |
| C10—C9—C22 | 120.71 (9) | C25—C24—H24A | 121.3 |
| C9—C10—C11 | 119.51 (9) | C23—C24—H24A | 121.3 |
| C9—C10—C13 | 121.81 (9) | F4—C25—C26 | 117.91 (10) |
| C11—C10—C13 | 118.68 (9) | F4—C25—C24 | 118.65 (10) |
| O1—C11—C12 | 124.20 (10) | C26—C25—C24 | 123.44 (11) |
| O1—C11—C10 | 115.25 (9) | C25—C26—C27 | 118.14 (10) |
| C12—C11—C10 | 120.55 (10) | C25—C26—H26A | 120.9 |
| C11—C12—C7 | 119.86 (10) | C27—C26—H26A | 120.9 |
| C11—C12—H12A | 120.1 | C26—C27—C22 | 120.70 (10) |
| C7—C12—H12A | 120.1 | C26—C27—H27A | 119.7 |
| O2—C13—C14 | 120.22 (10) | C22—C27—H27A | 119.7 |
| O2—C13—C10 | 120.30 (9) | O1—C28—H28A | 109.5 |
| C14—C13—C10 | 119.47 (9) | O1—C28—H28B | 109.5 |
| C15—C14—C13 | 122.15 (10) | H28A—C28—H28B | 109.5 |
| C15—C14—H14A | 118.9 | O1—C28—H28C | 109.5 |
| C13—C14—H14A | 118.9 | H28A—C28—H28C | 109.5 |
| C14—C15—C16 | 128.48 (10) | H28B—C28—H28C | 109.5 |
| C6—C1—C2—C3 | 0.19 (18) | C11—C10—C13—C14 | 109.02 (11) |
| C1—C2—C3—F1 | 179.74 (11) | O2—C13—C14—C15 | 169.89 (11) |
| C1—C2—C3—C4 | 0.16 (19) | C10—C13—C14—C15 | −8.99 (16) |
| F1—C3—C4—C5 | −179.84 (10) | C13—C14—C15—C16 | −175.29 (11) |
| C2—C3—C4—C5 | −0.25 (18) | C14—C15—C16—C17 | 4.5 (2) |
| C3—C4—C5—C6 | 0.00 (16) | C14—C15—C16—C21 | −176.78 (12) |
| C2—C1—C6—C5 | −0.43 (17) | C21—C16—C17—F3 | −178.53 (11) |
| C2—C1—C6—C7 | 178.74 (10) | C15—C16—C17—F3 | 0.30 (18) |
| C4—C5—C6—C1 | 0.33 (16) | C21—C16—C17—C18 | 0.26 (18) |
| C4—C5—C6—C7 | −178.83 (10) | C15—C16—C17—C18 | 179.09 (12) |
| C1—C6—C7—C8 | 137.19 (11) | F3—C17—C18—C19 | 178.96 (12) |
| C5—C6—C7—C8 | −43.66 (14) | C16—C17—C18—C19 | 0.2 (2) |
| C1—C6—C7—C12 | −43.81 (15) | C17—C18—C19—C20 | −0.4 (2) |
| C5—C6—C7—C12 | 135.34 (11) | C18—C19—C20—C21 | 0.3 (2) |
| C12—C7—C8—C9 | −0.99 (15) | C19—C20—C21—F2 | −179.68 (12) |
| C6—C7—C8—C9 | 178.01 (9) | C19—C20—C21—C16 | 0.2 (2) |
| C7—C8—C9—C10 | −1.73 (15) | C17—C16—C21—F2 | 179.42 (11) |
| C7—C8—C9—C22 | 177.95 (9) | C15—C16—C21—F2 | 0.51 (17) |
| C8—C9—C10—C11 | 2.77 (15) | C17—C16—C21—C20 | −0.45 (18) |
| C22—C9—C10—C11 | −176.91 (9) | C15—C16—C21—C20 | −179.36 (12) |
| C8—C9—C10—C13 | −176.84 (9) | C8—C9—C22—C27 | 125.20 (11) |
| C22—C9—C10—C13 | 3.48 (15) | C10—C9—C22—C27 | −55.12 (14) |
| C28—O1—C11—C12 | −0.06 (15) | C8—C9—C22—C23 | −56.29 (14) |
| C28—O1—C11—C10 | −179.63 (9) | C10—C9—C22—C23 | 123.38 (11) |
| C9—C10—C11—O1 | 178.46 (9) | C27—C22—C23—C24 | 1.97 (16) |
| C13—C10—C11—O1 | −1.92 (14) | C9—C22—C23—C24 | −176.57 (10) |
| C9—C10—C11—C12 | −1.12 (15) | C22—C23—C24—C25 | −0.82 (17) |
| C13—C10—C11—C12 | 178.50 (9) | C23—C24—C25—F4 | 179.25 (10) |
| O1—C11—C12—C7 | 178.86 (10) | C23—C24—C25—C26 | −1.08 (18) |
| C10—C11—C12—C7 | −1.60 (15) | F4—C25—C26—C27 | −178.59 (10) |
| C8—C7—C12—C11 | 2.64 (15) | C24—C25—C26—C27 | 1.74 (17) |
| C6—C7—C12—C11 | −176.37 (9) | C25—C26—C27—C22 | −0.51 (16) |
| C9—C10—C13—O2 | 109.75 (12) | C23—C22—C27—C26 | −1.27 (16) |
| C11—C10—C13—O2 | −69.86 (14) | C9—C22—C27—C26 | 177.25 (10) |
| C9—C10—C13—C14 | −71.37 (14) |
| H··· | ||||
| C2—H2 | 0.93 | 2.46 | 3.3655 (18) | 164 |
| C8—H8 | 0.93 | 2.45 | 3.3726 (13) | 170 |
| C24—H24 | 0.93 | 2.57 | 3.4371 (14) | 155 |
| C20—H20 | 0.93 | 2.83 | 3.5082 (14) | 130 |
| C27—H27 | 0.93 | 2.68 | 3.4068 (12) | 136 |
| C28—H28 | 0.96 | 2.90 | 3.7990 (15) | 157 |
Hydrogen-bond geometry (Å, °)
Cg1 and Cg2 are the centroids of the C1–C6 and C7–C12 rings, respectively.
| H⋯ | ||||
|---|---|---|---|---|
| C2—H2 | 0.93 | 2.46 | 3.3655 (18) | 164 |
| C8—H8 | 0.93 | 2.45 | 3.3726 (13) | 170 |
| C24—H24 | 0.93 | 2.57 | 3.4371 (14) | 155 |
| C20—H20 | 0.93 | 2.83 | 3.5082 (14) | 130 |
| C27—H27 | 0.93 | 2.68 | 3.4068 (12) | 136 |
| C28—H28 | 0.96 | 2.90 | 3.7990 (15) | 157 |
Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) ; (vi) .