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Information card for entry 2108556
Preview
| Coordinates | 2108556.cif |
|---|---|
| Structure factors | 2108556.hkl |
| Original paper (by DOI) | HTML |
| Formula | C64 H60 N6 O6 |
|---|---|
| Calculated formula | C64 H60 N6 O6 |
| Title of publication | Comparison of the crystal structures and physicochemical properties of novel resveratrol cocrystals |
| Authors of publication | Peng, Bo; He, Hongyan; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 6 |
| a | 8.0448 ± 0.0011 Å |
| b | 9.9408 ± 0.0014 Å |
| c | 17.371 ± 0.003 Å |
| α | 104.203 ± 0.002° |
| β | 90.628 ± 0.003° |
| γ | 91.751 ± 0.004° |
| Cell volume | 1345.9 ± 0.4 Å3 |
| Cell temperature | 220 K |
| Ambient diffraction temperature | 220 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0963 |
| Residual factor for significantly intense reflections | 0.0656 |
| Weighted residual factors for significantly intense reflections | 0.1931 |
| Weighted residual factors for all reflections included in the refinement | 0.2223 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 232453 (current) | 2019-11-23 | cif/ hkl/ Adding structures of 2108556, 2108557, 2108558, 2108559, 2108560, 2108561, 2108562 via cif-deposit CGI script. |
2108556.cif 2108556.hkl |
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Users of the data should acknowledge the original authors of the
structural data.