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Information card for entry 7240606
Preview
| Coordinates | 7240606.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C61 H108 O5 |
|---|---|
| Calculated formula | C61 H108 O5 |
| 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 | 9.439 ± 0.002 Å |
| b | 7.5391 ± 0.0016 Å |
| c | 39.635 ± 0.008 Å |
| α | 90° |
| β | 95.216 ± 0.006° |
| γ | 90° |
| Cell volume | 2808.8 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.3086 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.0582 |
| Weighted residual factors for all reflections included in the refinement | 0.092 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.743 |
| 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. |
7240606.cif |
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Users of the data should acknowledge the original authors of the
structural data.