Information card for entry 4110308

Structure parameters

• Formula: C25 H26 O5
• Calculated formula: C25 H26 O5
• SMILES: C1(=O)[C@@]2(CC[C@](C2(C)C)(C(=O)O[C@H](c2ccccc2)[C@H]2[C@@H](c3ccccc3)O2)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: 6.4191 ± 0.0008 Å
• b: 12.2108 ± 0.0016 Å
• c: 27.39 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2146.9 ± 0.5 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 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: 0.0693
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No