Information card for entry 4129399

Structure parameters

• Common name: weixyz03
• Formula: C24 H30 O4
• Calculated formula: C24 H30 O4
• SMILES: O1[C@]2(CC[C@@](C1=O)(C2(C)C)C)C(=O)O[C@H]1[C@@H]2CC[C@H]([C@@H]2CC1)c1ccccc1
• Title of publication: Enantioselective cross-coupling of meso-epoxides with aryl halides.
• Authors of publication: Zhao, Yang; Weix, Daniel J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 9
• Pages of publication: 3237 - 3240
• a: 6.4155 ± 0.0008 Å
• b: 15.9951 ± 0.0019 Å
• c: 19.986 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2050.9 ± 0.4 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 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: 0.0704
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No