Information card for entry 7708772

Structure parameters

• Formula: C48 H45 B Br2 Cl2 O P2
• Calculated formula: C48 H45 B Br2 Cl2 O 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: 17.218 ± 0.001 Å
• b: 13.9664 ± 0.0008 Å
• c: 18.1404 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4362.3 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0897
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1674
• Weighted residual factors for all reflections included in the refinement: 0.1818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No