Information card for entry 7062907

Structure parameters

• Formula: C30 H21 B Br F2 N3 O
• Calculated formula: C30 H21 B Br F2 N3 O
• Title of publication: A difluoroboron compound with latent fingerprint detection and inkless writing based on aggregation-induced emission enhancement and mechanofluorochromic behavior
• Authors of publication: Yang, Shufang; Tian, Jiazhuang; Zhang, Bangcui; Yang, Yanhua; Li, Xiangguang; Gao, Shulin; Shao, Lin; Li, Fumin
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 3
• Pages of publication: 1264 - 1271
• a: 8.2149 ± 0.0004 Å
• b: 33.6377 ± 0.0013 Å
• c: 9.9837 ± 0.0004 Å
• α: 90°
• β: 90.872 ± 0.003°
• γ: 90°
• Cell volume: 2758.5 ± 0.2 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 7
• 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: 0.1121
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.1822
• Weighted residual factors for all reflections included in the refinement: 0.2004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No