Information card for entry 7129428

Structure parameters

• Formula: C15 H23 B2 Br N7 S
• Calculated formula: C15 H23 B2 Br N7 S
• Title of publication: Derivatization of an especially electron-rich diborane
• Authors of publication: Vogler, Daniel; Haas, Lea; Wolf, Nina; Kaifer, Elisabeth; Himmel, Hans-Jörg
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 16.7035 ± 0.001 Å
• b: 15.5342 ± 0.0009 Å
• c: 16.8091 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4361.5 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1105
• Residual factor for significantly intense reflections: 0.094
• Weighted residual factors for significantly intense reflections: 0.2102
• Weighted residual factors for all reflections included in the refinement: 0.2208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No