Information card for entry 7108503

Structure parameters

• Formula: C25 H23 B
• Calculated formula: C25 H23 B
• Title of publication: Planarized B-Phenylborataanthracene: Structural and Electronic Impacts of Coplanar-Constraint
• Authors of publication: Tomokatsu Kushida; Zhiguo Zhou; Atsushi Wakamiya; Shigehiro Yamaguchi
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 10715
• a: 10.15 ± 0.015 Å
• b: 17.72 ± 0.03 Å
• c: 10.24 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1842 ± 7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No