Information card for entry 4111187

Structure parameters

• Formula: C83 H75 B2 Cl3 N2
• Calculated formula: C83 H74 B2 Cl3 N2
• Title of publication: Highly Emissive Organic Solids Containing 2,5-Diboryl-1,4-phenylene Unit
• Authors of publication: Cui-Hua Zhao; Atsushi Wakamiya; Yuko Inukai; Shigehiro Yamaguchi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 15934 - 15935
• a: 38.958 ± 0.006 Å
• b: 10.1794 ± 0.0014 Å
• c: 18.833 ± 0.003 Å
• α: 90°
• β: 113.247 ± 0.0005°
• γ: 90°
• Cell volume: 6862.2 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0747
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No