Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7229162
Preview
| Coordinates | 7229162.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H55 N3 O10 |
|---|---|
| Calculated formula | C50 H55 N3 O10 |
| SMILES | O1c2cc(/C=C/C=C/C(=O)N3CCCCC3)ccc2OC1.O1c2cc(/C=C/C=C/C(=O)N3CCCCC3)ccc2OC1.Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1.O.N#CC |
| 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 | 58.8257 ± 0.001 Å |
| b | 8.8831 ± 0.0001 Å |
| c | 17.2873 ± 0.0003 Å |
| α | 90° |
| β | 100.318 ± 0.001° |
| γ | 90° |
| Cell volume | 8887.5 ± 0.2 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0694 |
| Residual factor for significantly intense reflections | 0.0461 |
| Weighted residual factors for significantly intense reflections | 0.1071 |
| Weighted residual factors for all reflections included in the refinement | 0.1205 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| 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. |
7229162.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.