Information card for entry 1519398

Structure parameters

• Formula: C8 H6 F4 O6
• Calculated formula: C4 H3 F2 O3
• Title of publication: Crystallization-induced dual emission from metal- and heavy atom-free aromatic acids and esters
• Authors of publication: Gong, Yongyang; Zhao, Lifang; Peng, Qian; Fan, Di; Yuan, Wang Zhang; Zhang, Yongming; Tang, Ben Zhong
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 8
• Pages of publication: 4438
• a: 8.5417 ± 0.0005 Å
• b: 8.0442 ± 0.0005 Å
• c: 7.4465 ± 0.0004 Å
• α: 90°
• β: 99.017 ± 0.005°
• γ: 90°
• Cell volume: 505.33 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0504
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No