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Information card for entry 7229161
Preview
| Coordinates | 7229161.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C67 H74 N4 O13 |
|---|---|
| Calculated formula | C67 H74 N4 O13 |
| SMILES | Oc1cc(/C=C/c2ccc(O)cc2)cc(O)c1.O.O1COc2c1cc(/C=C/C=C/C(=O)N1CCCCC1)cc2.O1c2cc(/C=C/C=C/C(=O)N3CCCCC3)ccc2OC1.O1COc2c1cc(/C=C/C=C/C(=O)N1CCCCC1)cc2.CC#N |
| Title of publication | Structure, physicochemical properties and pharmacokinetics of resveratrol and piperine cocrystals |
| Authors of publication | He, Hongyan; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 40.6077 ± 0.0014 Å |
| b | 8.7048 ± 0.0003 Å |
| c | 17.2621 ± 0.0006 Å |
| α | 90° |
| β | 97.184 ± 0.002° |
| γ | 90° |
| Cell volume | 6053.9 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1354 |
| Residual factor for significantly intense reflections | 0.0665 |
| Weighted residual factors for significantly intense reflections | 0.1344 |
| Weighted residual factors for all reflections included in the refinement | 0.1617 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200867 (current) | 2017-09-14 | cif/ Adding structures of 7229161, 7229162, 7229163, 7229164 via cif-deposit CGI script. |
7229161.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.