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Information card for entry 7245310
Preview
| Coordinates | 7245310.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H36 O8 |
|---|---|
| Calculated formula | C30 H36 O8 |
| SMILES | O=C1CC[C@H]2C(=C1)C(=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(OC(=O)C)C(=O)C)C)C.Oc1c(C(=O)O)cc(O)cc1 |
| Title of publication | Pharmaceutical cocrystals of nomegestrol acetate with superior dissolution |
| Authors of publication | Chen, Xiaofeng; Ning, Lifeng |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 10.8459 ± 0.0007 Å |
| b | 11.2095 ± 0.0007 Å |
| c | 11.9727 ± 0.0008 Å |
| α | 90° |
| β | 114.141 ± 0.002° |
| γ | 90° |
| Cell volume | 1328.3 ± 0.15 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0539 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.0873 |
| Weighted residual factors for all reflections included in the refinement | 0.0959 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277241 (current) | 2022-08-14 | cif/ Adding structures of 7245309, 7245310 via cif-deposit CGI script. |
7245310.cif |
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