Information card for entry 7124077

Structure parameters

• Formula: C12 H12 F2 N4
• Calculated formula: C12 H12 F2 N4
• 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: 12.3349 ± 0.0006 Å
• b: 7.6871 ± 0.0004 Å
• c: 12.6994 ± 0.0006 Å
• α: 90°
• β: 96.325 ± 0.005°
• γ: 90°
• Cell volume: 1196.82 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 4
• 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: 0.0669
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No