Information card for entry 7124076

Structure parameters

• Formula: C8 H0.12 F3 N3
• Calculated formula: C8 H2 F3 N3
• Title of publication: A General Strategy for Development of Single Benzene Fluorophore with Full-color-tunable, Environmentally Insensitive, and Two-photon Solid-State Emission
• Authors of publication: Yuan, Lin; Xiang, Zhen; Zhi-Yao, Wang; Ren, Tian-Bing; Wang, Xu; Liu, Yupeng; Zhang, Xingxing; Wu, Peng; Zhang, Xiaobing
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 7.7891 ± 0.0011 Å
• b: 9.8407 ± 0.0014 Å
• c: 19.664 ± 0.003 Å
• α: 90°
• β: 90.909 ± 0.005°
• γ: 90°
• Cell volume: 1507.1 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• 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: 0.1052
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No