Information card for entry 1555480

Structure parameters

• Formula: C21 H18 Br N
• Calculated formula: C21 H18 Br N
• Title of publication: Enantioselective Metal-Free Hydrogenations of Disubstituted Quinolines.
• Authors of publication: Zhang, Zhenhua; Du, Haifeng
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 24
• Pages of publication: 6266 - 6269
• a: 10.094 ± 0.003 Å
• b: 14.285 ± 0.004 Å
• c: 11.689 ± 0.003 Å
• α: 90°
• β: 90.952 ± 0.004°
• γ: 90°
• Cell volume: 1685.2 ± 0.8 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No