Information card for entry 4106721

Structure parameters

• Formula: C13 H13 B Br N O5
• Calculated formula: C13 H13 B Br N O5
• Title of publication: Amphoteric α-Boryl Aldehydes
• Authors of publication: Zhi He; Andrei K. Yudin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 13770 - 13773
• a: 13.55 ± 0.003 Å
• b: 6.4558 ± 0.0013 Å
• c: 32.423 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2836.2 ± 1 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1518
• Residual factor for significantly intense reflections: 0.0829
• Weighted residual factors for significantly intense reflections: 0.1961
• Weighted residual factors for all reflections included in the refinement: 0.2369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No