Information card for entry 4110307

Structure parameters

• Formula: C25 H26 O4
• Calculated formula: C25 H26 O4
• SMILES: C1(=O)[C@@]2(CC[C@](C2(C)C)(C(=O)O[C@H](c2ccccc2)/C=C\c2ccccc2)O1)C
• Title of publication: Catalytic Asymmetric Generation of (Z)-Disubstituted Allylic Alcohols
• Authors of publication: Luca Salvi; Sang-Jin Jeon; Ethan L. Fisher; Patrick J. Carroll; Patrick J. Walsh
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 16119 - 16125
• a: 12.631 ± 0.003 Å
• b: 6.1265 ± 0.0013 Å
• c: 13.649 ± 0.003 Å
• α: 90°
• β: 91.167 ± 0.005°
• γ: 90°
• Cell volume: 1056 ± 0.4 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 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: 0.0542
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No