Information card for entry 1542999

Structure parameters

• Formula: C15 H15 Cl
• Calculated formula: C15 H15 Cl
• SMILES: Clc1ccc(c(c1)C)[C@@H](C)c1ccccc1
• Title of publication: Cobalt-Catalyzed Asymmetric Hydrogenation of 1,1-Diarylethenes.
• Authors of publication: Chen, Jianhui; Chen, Chenhui; Ji, Chonglei; Lu, Zhan
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 7
• Pages of publication: 1594 - 1597
• a: 7.122 ± 0.0005 Å
• b: 12.4596 ± 0.0009 Å
• c: 29.1959 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2590.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.1047
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No