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Information card for entry 7244533
Preview
| Coordinates | 7244533.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H26 N4 O5 S |
|---|---|
| Calculated formula | C27 H26 N4 O5 S |
| SMILES | S(c1c(C(=O)NC)cccc1)c1cc2[nH]nc(c2cc1)/C=C/c1ncccc1.OC(=O)CCCC(=O)O |
| Title of publication | Two anhydrous forms and one monohydrate of a cocrystal of axitinib and glutaric acid: characterization, property evaluation and phase transition study |
| Authors of publication | Ren, Bo-Ying; Dai, Xia-Lin; Chen, Jia-Mei; Lu, Tong-Bu |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 7.6975 ± 0.0002 Å |
| b | 12.7075 ± 0.0003 Å |
| c | 14.7757 ± 0.0004 Å |
| α | 65.633 ± 0.003° |
| β | 83.024 ± 0.002° |
| γ | 77.802 ± 0.002° |
| Cell volume | 1285.88 ± 0.07 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0659 |
| Residual factor for significantly intense reflections | 0.063 |
| Weighted residual factors for significantly intense reflections | 0.1644 |
| Weighted residual factors for all reflections included in the refinement | 0.1677 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273195 (current) | 2022-03-02 | cif/ Adding structures of 7244532, 7244533 via cif-deposit CGI script. |
7244533.cif |
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Users of the data should acknowledge the original authors of the
structural data.