Information card for entry 7156010

Structure parameters

• Formula: C25 H22 Br N O2
• Calculated formula: C25 H22 Br N O2
• SMILES: Brc1ccc(C(=O)N2[C@H]([C@@H](C(=C)c3c2cccc3)C)c2ccc(OC)cc2)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: 7.297 ± 0.002 Å
• b: 10.159 ± 0.003 Å
• c: 14.198 ± 0.004 Å
• α: 90°
• β: 97.465 ± 0.004°
• γ: 90°
• Cell volume: 1043.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No