Information card for entry 7236982

Structure parameters

• Formula: C24 H20 B F2 N O3
• Calculated formula: C24 H20 B F2 N O3
• Title of publication: Carbazole-containing difluoroboron β-diketonate dyes: two-photon excited fluorescence in solution and grinding-induced blue-shifted emission in the solid state
• Authors of publication: Chen, Peng-Zhong; Wang, Jian-Xin; Niu, Li-Ya; Chen, Yu-Zhe; Yang, Qing-Zheng
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 47
• Pages of publication: 12538
• a: 11.151 ± 0.002 Å
• b: 13.828 ± 0.003 Å
• c: 13.934 ± 0.003 Å
• α: 90°
• β: 112.2 ± 0.03°
• γ: 90°
• Cell volume: 1989.3 ± 0.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1116
• Residual factor for significantly intense reflections: 0.0962
• Weighted residual factors for significantly intense reflections: 0.1763
• Weighted residual factors for all reflections included in the refinement: 0.1853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.238
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No