Information card for entry 4117674

Structure parameters

• Formula: C37 H34 B2 Cl2
• Calculated formula: C37 H34 B2 Cl2
• Title of publication: Planarized Triarylboranes: Stabilization by Structural Constraint and Their Plane-to-Bowl Conversion
• Authors of publication: Zhiguo Zhou; Atsushi Wakamiya; Tomokatsu Kushida; Shigehiro Yamaguchi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 4529 - 4532
• a: 27.583 ± 0.007 Å
• b: 9.566 ± 0.002 Å
• c: 12.031 ± 0.003 Å
• α: 90°
• β: 104.38 ± 0.004°
• γ: 90°
• Cell volume: 3075 ± 1.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0944
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1667
• Weighted residual factors for all reflections included in the refinement: 0.1912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No