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Information card for entry 4518088
Preview
| Coordinates | 4518088.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H36 O4 S |
|---|---|
| Calculated formula | C26 H36 O4 S |
| Title of publication | Characterization of a New Solvatomorph of Drospirenone by Thermogravimetry‒Mass Spectrometry Combined with Other Solid-State Analysis Methods |
| Authors of publication | Yuan, Penghui; Yang, Dezhi; Wang, Ruonan; Gong, Ningbo; Zhang, Li; Lu, Yang; Du, Guanhua |
| Journal of publication | ACS Omega |
| Year of publication | 2020 |
| a | 6.3541 ± 0.0003 Å |
| b | 11.5712 ± 0.0003 Å |
| c | 32.2251 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2369.34 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.045 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.1073 |
| Weighted residual factors for all reflections included in the refinement | 0.1114 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256740 (current) | 2020-09-25 | cif/ Adding structures of 4518088 via cif-deposit CGI script. |
4518088.cif |
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