Information card for entry 1506624

Structure parameters

• Formula: C30 H28 O5
• Calculated formula: C30 H28 O5
• SMILES: c1ccc(cc1)C(c1ccccc1)O[C@H]([C@H](c1ccccc1)O)C(=O)c1c(ccc(c1)OC)OC.c1ccc(cc1)C(c1ccccc1)O[C@@H]([C@@H](c1ccccc1)O)C(=O)c1c(ccc(c1)OC)OC
• 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: 12.8162 ± 0.0014 Å
• b: 12.8977 ± 0.0011 Å
• c: 16.356 ± 0.0015 Å
• α: 90°
• β: 109.913 ± 0.007°
• γ: 90°
• Cell volume: 2542 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No