Information card for entry 7150058

Structure parameters

• Formula: C40 H36 O2
• Calculated formula: C40 H36 O2
• SMILES: O[C@@H](C(C1([C@H]2\C(=C(c3ccccc3)\c3ccccc3)C2)CC1)(c1ccccc1)c1ccccc1)c1ccc(OC)cc1
• Title of publication: Carbolithiation of gem-aryl disubstituted methylenecyclopropanes.
• Authors of publication: Huang, Jin-Wen; Shi, Min
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 3
• Pages of publication: 399 - 400
• a: 10.113 ± 0.002 Å
• b: 10.206 ± 0.002 Å
• c: 29.277 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3021.8 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.2113
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 0.635
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No