Information card for entry 4122509

Structure parameters

• Common name: Partially Constrained Triarylborane Brominated Derivative
• Formula: C30 H13.44 B Br1.56
• Calculated formula: C30 H13.436 B Br1.564
• Title of publication: Photodissociation of B-N Lewis adducts: a partially fused trinaphthylborane with dual fluorescence.
• Authors of publication: Matsuo, Kyohei; Saito, Shohei; Yamaguchi, Shigehiro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 36
• Pages of publication: 12580 - 12583
• a: 23.4202 ± 0.001 Å
• b: 3.8518 ± 0.0002 Å
• c: 23.7888 ± 0.0012 Å
• α: 90°
• β: 116.409 ± 0.004°
• γ: 90°
• Cell volume: 1922.03 ± 0.17 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/a 1
• Hall space group symbol: -P 2ya
• Residual factor for all reflections: 0.1076
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.1889
• Weighted residual factors for all reflections included in the refinement: 0.2093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No