Information card for entry 7121550

Structure parameters

• Formula: C26 H23 B
• Calculated formula: C26 H23 B
• Title of publication: A planarized B-phenyldibenzoborepin: Impacts of the structural constraint on its electronic properties and Lewis acidity
• Authors of publication: Ando, Naoki; Kushida, Tomokatsu; Yamaguchi, Shigehiro
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 33.652 ± 0.008 Å
• b: 33.652 ± 0.008 Å
• c: 8.379 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8218 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No