Information card for entry 1506626

Structure parameters

• Formula: C36 H32 O5
• Calculated formula: C36 H32 O5
• SMILES: [C@H]([C@@H](c1ccccc1c1ccccc1)O)(C(=O)c1c(ccc(c1)OC)OC)OC(c1ccccc1)c1ccccc1.[C@@H]([C@H](c1ccccc1c1ccccc1)O)(C(=O)c1c(ccc(c1)OC)OC)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: 9.8452 ± 0.0002 Å
• b: 10.5613 ± 0.0003 Å
• c: 14.8694 ± 0.0005 Å
• α: 104.192 ± 0.002°
• β: 91.189 ± 0.002°
• γ: 104.922 ± 0.001°
• Cell volume: 1442.54 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1838
• Weighted residual factors for all reflections included in the refinement: 0.1961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No