Information card for entry 7708771

Structure parameters

• Formula: C47.5 H44 B Br2 Cl P2
• Calculated formula: C47.5 H44 B Br2 Cl P2
• Title of publication: Facile Access to Halogenated Cationic B=C-centered Organoboron Isoelectronic with Alkenyl Halides
• Authors of publication: Xiang, Libo; Wang, Junyi; Su, Wei; Lin, Zhenyang; Ye, Qing
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 22.8309 ± 0.0014 Å
• b: 18.9924 ± 0.0013 Å
• c: 20.3151 ± 0.0011 Å
• α: 90°
• β: 109.757 ± 0.002°
• γ: 90°
• Cell volume: 8290.4 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0745
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No