Information card for entry 2229133

Structure parameters

• Chemical name: (1<i>SR</i>,2<i>RS</i>,3<i>SR</i>,5<i>SR</i>,6<i>RS</i>)-6-[(<i>Z</i>)- 1-Acetoxy-2-phenylethenyl]-3-ethoxy-2-phenylbicyclo[3.1.0]hexan-1-yl acetate
• Formula: C26 H28 O5
• Calculated formula: C26 H28 O5
• SMILES: O([C@@H]1[C@@H](c2ccccc2)[C@@]2(OC(=O)C)[C@@H](C1)[C@@H]2/C(=C/c1ccccc1)OC(=O)C)CC.O([C@H]1[C@H](c2ccccc2)[C@]2(OC(=O)C)[C@H](C1)[C@H]2/C(=C/c1ccccc1)OC(=O)C)CC
• Title of publication: (1<i>SR</i>,2<i>RS</i>,3<i>SR</i>,5<i>SR</i>,6<i>RS</i>)-6-[(<i>Z</i>)-1-Acetoxy-2-phenylethenyl]-3-ethoxy-2-phenylbicyclo[3.1.0]hexan-1-yl acetate
• Authors of publication: Hu, Wen-Xiang; Xu, Gao; Wei, Guo-Qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o512
• a: 5.8585 ± 0.0014 Å
• b: 12.368 ± 0.003 Å
• c: 15.852 ± 0.004 Å
• α: 73.17 ± 0.006°
• β: 88.967 ± 0.009°
• γ: 81.761 ± 0.007°
• Cell volume: 1087.7 ± 0.5 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes