Information card for entry 7717506

Structure parameters

• Formula: C12 H8 B F N2 O2
• Calculated formula: C12 H8 B F 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 (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 3
• Pages of publication: 1079 - 1086
• a: 6.982 ± 0.004 Å
• b: 21.445 ± 0.011 Å
• c: 7.808 ± 0.004 Å
• α: 90°
• β: 114.861 ± 0.007°
• γ: 90°
• Cell volume: 1060.7 ± 1 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.805
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No