Information card for entry 4101608

Structure parameters

• Formula: C32 H34 O8
• Calculated formula: C32 H34 O8
• SMILES: O(c1c(c2ccc(OC)cc2)c(c2c(c3ccc(OC)cc3)c(OC)ccc2O)c(O)cc1)C.O(C(=O)C)CC
• Title of publication: Enantioselective synthesis of biphenols from 1,4-diketones by traceless central-to-axial chirality exchange.
• Authors of publication: Guo, Fenghai; Konkol, Leah C.; Thomson, Regan J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Journal issue: 1
• Pages of publication: 18 - 20
• a: 8.0008 ± 0.0002 Å
• b: 19.2436 ± 0.0004 Å
• c: 36.6855 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5648.3 ± 0.2 ų
• Cell temperature: 84 ± 2 K
• Ambient diffraction temperature: 84 ± 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: 0.1094
• Residual factor for significantly intense reflections: 0.0971
• Weighted residual factors for significantly intense reflections: 0.2532
• Weighted residual factors for all reflections included in the refinement: 0.2642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No