Information card for entry 7717507

Structure parameters

• Formula: C12 H6 B F3 N2 O2
• Calculated formula: C12 H6 B F3 N2 O2
• Title of publication: Contribution of Radiative Rate Constants to Crystallization-Induced Emission Enhancement in Boron-Fused Azobenzene Complexes
• Authors of publication: Nakamura, Masashi; Gon, Masayuki; Tanaka, Kazuo
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 21.821 ± 0.014 Å
• b: 6.154 ± 0.003 Å
• c: 18.764 ± 0.012 Å
• α: 90°
• β: 120.182 ± 0.008°
• γ: 90°
• Cell volume: 2178 ± 2 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• 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: 0.0802
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 0.735
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No