Information card for entry 4110756

Structure parameters

• Formula: C33 H42 O9
• Calculated formula: C33 H42 O9
• SMILES: [C@]12(CC[C@](C(=O)O2)(C1(C)C)C)C(=O)O[C@H](C)[C@@H](/C=C\COCc1ccccc1)OC(=O)[C@@]12CC[C@](C(=O)O2)(C1(C)C)C
• Title of publication: Direct, Stereospecific Generation of (Z)-Disubstituted Allylic Alcohols
• Authors of publication: Sang-Jin Jeon; Ethan L. Fisher; Patrick J. Carroll; Patrick J. Walsh
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 9618 - 9619
• a: 6.1931 ± 0.0009 Å
• b: 20.977 ± 0.003 Å
• c: 23.49 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3051.6 ± 0.7 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: 0.0855
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1821
• Weighted residual factors for all reflections included in the refinement: 0.194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No