Information card for entry 1506625

Structure parameters

• Formula: C32 H30 O6
• Calculated formula: C32 H30 O6
• SMILES: [C@@H](C(=O)c1cc(ccc1OC)OC)([C@@H](c1ccccc1)OC(=O)C)OC(c1ccccc1)c1ccccc1
• Title of publication: Asymmetric glycolate aldol reactions using cinchonium phase-transfer catalysts.
• Authors of publication: Andrus, Merritt B.; Liu, Jing; Ye, Zhifeng; Cannon, John F.
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 18
• Pages of publication: 3861 - 3864
• a: 8.8004 ± 0.0003 Å
• b: 12.0028 ± 0.0004 Å
• c: 26.0589 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2752.59 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0624
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.281
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No