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Information card for entry 7240607
Preview
| Coordinates | 7240607.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C121 H209 N O6 |
|---|---|
| Calculated formula | C121 H209 N O6 |
| 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 | 7.581 ± 0.002 Å |
| b | 9.702 ± 0.003 Å |
| c | 36.973 ± 0.009 Å |
| α | 82.962 ± 0.005° |
| β | 86.112 ± 0.005° |
| γ | 89.74 ± 0.005° |
| Cell volume | 2692.7 ± 1.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.1676 |
| Residual factor for significantly intense reflections | 0.1056 |
| Weighted residual factors for significantly intense reflections | 0.1872 |
| Weighted residual factors for all reflections included in the refinement | 0.2302 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.314 |
| 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. |
7240607.cif |
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Users of the data should acknowledge the original authors of the
structural data.