Information card for entry 4102847

Structure parameters

• Formula: C29 H41 B N2 O2 S
• Calculated formula: C29 H41 B N2 O2 S
• Title of publication: Access to B=S and B=Se Double Bonds via Sulfur and Selenium Insertion into a B-H Bond and Hydrogen Migration
• Authors of publication: Hao Wang; Jianying Zhang; Hongfan Hu; Chunming Cui
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 10998 - 10999
• a: 13.602 ± 0.003 Å
• b: 14.663 ± 0.003 Å
• c: 14.029 ± 0.003 Å
• α: 90°
• β: 95.01 ± 0.03°
• γ: 90°
• Cell volume: 2787.3 ± 1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.096
• Weighted residual factors for significantly intense reflections: 0.2611
• Weighted residual factors for all reflections included in the refinement: 0.2708
• 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