Information card for entry 7129597

Structure parameters

• Formula: C45 H62 B Cl Si
• Calculated formula: C45 H62 B Cl Si
• Title of publication: Kinetic stabilization allows structural analysis of a benzoborirene
• Authors of publication: Sindlinger, Marvin; Ströbele, Markus; Maichle-Mössmer, Cäcilia; Bettinger, Holger F.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 12.5107 ± 0.0005 Å
• b: 18.595 ± 0.0008 Å
• c: 18.2194 ± 0.0007 Å
• α: 90°
• β: 105.662 ± 0.001°
• γ: 90°
• Cell volume: 4081.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0714
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No