Information card for entry 7156009

Structure parameters

• Formula: C24 H20 Br N O2
• Calculated formula: C24 H20 Br N O2
• SMILES: Brc1ccc(C(=O)N2[C@H](c3ccc(OC)cc3)[C@H](c3c2cccc3)C=C)cc1
• Title of publication: Highly efficient asymmetric construction of novel indolines and tetrahydroquinoline derivatives via aza-Barbier/C-N coupling reaction.
• Authors of publication: Guo, Tao; Yuan, Bin-Hua; Liu, Wen-Jie
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 16
• Journal issue: 1
• Pages of publication: 57 - 61
• a: 6.6297 ± 0.0015 Å
• b: 15.443 ± 0.004 Å
• c: 20.287 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2077 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0516
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No