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Information card for entry 7229414
Preview
| Coordinates | 7229414.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | daidzein |
|---|---|
| Formula | C15 H10 O4 |
| Calculated formula | C15 H10 O4 |
| SMILES | o1c2cc(O)ccc2c(=O)c(c1)c1ccc(O)cc1 |
| Title of publication | Polymorphs of daidzein and intermolecular interaction effect on solution crystallization |
| Authors of publication | Jia, Lina; Xu, Shijie; Liu, Shiyuan; Du, Shichao; Wu, Songgu; Gong, Junbo |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 3.86 ± 0.0008 Å |
| b | 11.43 ± 0.002 Å |
| c | 25.629 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1130.7 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1011 |
| Residual factor for significantly intense reflections | 0.0667 |
| Weighted residual factors for significantly intense reflections | 0.097 |
| Weighted residual factors for all reflections included in the refinement | 0.1053 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7229414.cif |
| 202389 | 2017-10-28 | cif/ Adding structures of 7229414 via cif-deposit CGI script. |
7229414.cif |
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Users of the data should acknowledge the original authors of the
structural data.