Information card for entry 4117677

Structure parameters

• Formula: C43 H54 B2 Cl2 F N3 S
• Calculated formula: C43 H54 B2 Cl2 F N3 S
• 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: 11.2973 ± 0.0015 Å
• b: 17.684 ± 0.002 Å
• c: 21.043 ± 0.003 Å
• α: 98.909 ± 0.002°
• β: 103.213 ± 0.002°
• γ: 99.92 ± 0.002°
• Cell volume: 3948 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1012
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No