Information card for entry 7241556

Structure parameters

• Formula: C26 H23 Cl F4 N4 O7
• Calculated formula: C26 H23 Cl F4 N4 O7
• Title of publication: Cocrystals of regorafenib with dicarboxylic acids: synthesis, characterization and property evaluation
• Authors of publication: Jia, Jun-Long; Dai, Xia-Lin; Che, Hao-Jie; Li, Meng-Ting; Zhuang, Xiao-Mei; Lu, Tong-Bu; Chen, Jia-Mei
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 3
• Pages of publication: 653 - 662
• a: 23.6243 ± 0.0003 Å
• b: 7.4222 ± 0.0001 Å
• c: 15.1901 ± 0.0002 Å
• α: 90°
• β: 99.038 ± 0.001°
• γ: 90°
• Cell volume: 2630.43 ± 0.06 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0481
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No