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Information card for entry 7240609
Preview
| Coordinates | 7240609.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Sitosterol Propionic acid hydrate cocrystal form II |
|---|---|
| Formula | C119 H208 O7 |
| Calculated formula | C119 H208 O7 |
| Title of publication | Crystal Engineering of Nutraceutical Phytosterols: New Cocrystal Solid-Solutions |
| Authors of publication | Prohens, Rafel; Barbas, Rafael; Bofill, Lidia; de Sande, Dafne; Font-Bardia, Merce |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 26.373 ± 0.003 Å |
| b | 7.4971 ± 0.0007 Å |
| c | 27.183 ± 0.003 Å |
| α | 90° |
| β | 92.569 ± 0.006° |
| γ | 90° |
| Cell volume | 5369.2 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.3448 |
| Residual factor for significantly intense reflections | 0.1012 |
| Weighted residual factors for significantly intense reflections | 0.1599 |
| Weighted residual factors for all reflections included in the refinement | 0.2356 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.95 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252628 (current) | 2020-06-04 | cif/ Adding structures of 7240604, 7240605, 7240606, 7240607, 7240608, 7240609 via cif-deposit CGI script. |
7240609.cif |
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