Information card for entry 1555996

Structure parameters

• Formula: C21 H22 Br N O2
• Calculated formula: C21 H22 Br N O2
• Title of publication: Construction of Chiral Tricyclic Indoles through a Rhodium-Catalyzed Asymmetric Arylation Protocol.
• Authors of publication: Wu, Chun-Yan; Yu, Yue-Na; Xu, Ming-Hua
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 2
• Pages of publication: 384 - 387
• a: 6.0625 ± 0.0002 Å
• b: 19.5089 ± 0.0007 Å
• c: 16.3468 ± 0.0006 Å
• α: 90°
• β: 96.885 ± 0.002°
• γ: 90°
• Cell volume: 1919.44 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1211
• Residual factor for significantly intense reflections: 0.1029
• Weighted residual factors for significantly intense reflections: 0.2877
• Weighted residual factors for all reflections included in the refinement: 0.3146
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No