Information card for entry 4118031

Structure parameters

• Formula: C24 H12 B Br3 S3
• Calculated formula: C24 H12 B Br3 S3
• Title of publication: Polycyclic π-Electron System with Boron at Its Center
• Authors of publication: Shohei Saito; Kyohei Matsuo; Shigehiro Yamaguchi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 9130 - 9133
• a: 13.411 ± 0.005 Å
• b: 21.868 ± 0.008 Å
• c: 16.401 ± 0.006 Å
• α: 90°
• β: 107.83 ± 0.002°
• γ: 90°
• Cell volume: 4579 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1333
• Residual factor for significantly intense reflections: 0.1206
• Weighted residual factors for significantly intense reflections: 0.2761
• Weighted residual factors for all reflections included in the refinement: 0.2849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No