Information card for entry 7121552

Structure parameters

• Formula: C29 H33 B
• Calculated formula: C29 H33 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: 8.7378 ± 0.0009 Å
• b: 16.5639 ± 0.0017 Å
• c: 16.8755 ± 0.0018 Å
• α: 80.618 ± 0.004°
• β: 84.316 ± 0.004°
• γ: 79.857 ± 0.003°
• Cell volume: 2365.9 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No