Information card for entry 1504583

Structure parameters

• Formula: C24 H20 O4
• Calculated formula: C24 H20 O4
• SMILES: O[C@@H]1c2c(c3cc(OC)ccc3cc2)c2c([C@H]1O)ccc1c2cc(OC)cc1
• Title of publication: An efficient and versatile approach for optical resolution of C2-symmetric axially chiral biaryl dials. Synthesis of enantiopure biaryl-derived cyclic trans-1,2-diols.
• Authors of publication: Zhu, Chen; Shi, Yun; Xu, Ming-Hua; Lin, Guo-Qiang
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 1243 - 1246
• a: 10.634 ± 0.002 Å
• b: 6.6025 ± 0.0013 Å
• c: 13.996 ± 0.003 Å
• α: 90°
• β: 109.982 ± 0.004°
• γ: 90°
• Cell volume: 923.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 0.862
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No