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Information card for entry 7241556
Preview
| Coordinates | 7241556.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7241556.cif |
| 261629 | 2021-02-05 | cif/ Updating files of 7241556 Original log message: Adding full bibliography for 7241556.cif. |
7241556.cif |
| 259312 | 2020-11-29 | cif/ Adding structures of 7241556 via cif-deposit CGI script. |
7241556.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.