Information card for entry 4130874

Structure parameters

• Formula: C22 H21 Br N2 O3
• Calculated formula: C22 H21 Br N2 O3
• Title of publication: Asymmetric Catalysis with Organic Azides and Diazo Compounds Initiated by Photoinduced Electron Transfer.
• Authors of publication: Huang, Xiaoqiang; Webster, Richard D.; Harms, Klaus; Meggers, Eric
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 38
• Pages of publication: 12636 - 12642
• a: 9.8543 ± 0.0004 Å
• b: 13.1873 ± 0.0006 Å
• c: 15.4684 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2010.14 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0394
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No