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Information card for entry 1559400
Preview
| Coordinates | 1559400.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H29.27 O5 |
|---|---|
| Calculated formula | C21 H29.26 O5 |
| Title of publication | Cortisone and cortisol break hydrogen-bonding rules to make a drug‒prodrug solid solution |
| Authors of publication | Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo |
| Journal of publication | IUCrJ |
| Year of publication | 2020 |
| Journal volume | 7 |
| Journal issue | 6 |
| a | 7.7308 ± 0.0007 Å |
| b | 10.1237 ± 0.0009 Å |
| c | 23.694 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1854.4 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.2847 |
| Residual factor for significantly intense reflections | 0.0715 |
| Weighted residual factors for significantly intense reflections | 0.1271 |
| Weighted residual factors for all reflections included in the refinement | 0.1907 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.967 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258575 (current) | 2020-10-23 | cif/ Adding structures of 1559398, 1559399, 1559400, 1559401, 1559402 via cif-deposit CGI script. |
1559400.cif |
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Users of the data should acknowledge the original authors of the
structural data.