Information card for entry 7153326

Structure parameters

• Formula: C24 H19 Cl O2
• Calculated formula: C24 H19 Cl O2
• SMILES: Clc1ccc([C@H](C2c3ccccc3C(=O)c3c2cccc3)CC(=O)C)cc1
• Title of publication: Asymmetric organocatalytic Michael addition of anthrone to enone.
• Authors of publication: Wu, Chunlin; Li, Wenjun; Yang, Juanjuan; Liang, Xinmiao; Ye, Jinxing
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 14
• Pages of publication: 3244 - 3250
• a: 12.5855 ± 0.001 Å
• b: 14.0795 ± 0.0011 Å
• c: 21.9701 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3893 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0748
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No