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Information card for entry 7241612
Preview
| Coordinates | 7241612.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H14 O4 S |
|---|---|
| Calculated formula | C14 H14 O4 S |
| SMILES | S(=O)(=O)([O-])c1ccc(cc1)C.[OH+]=C1C=CC=CC=C1 |
| Title of publication | Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring |
| Authors of publication | Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 1 |
| Pages of publication | 30 - 34 |
| a | 9.5417 ± 0.0004 Å |
| b | 10.8327 ± 0.0003 Å |
| c | 12.7884 ± 0.0005 Å |
| α | 90° |
| β | 101.427 ± 0.001° |
| γ | 90° |
| Cell volume | 1295.64 ± 0.08 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0506 |
| Residual factor for significantly intense reflections | 0.0371 |
| Weighted residual factors for significantly intense reflections | 0.089 |
| Weighted residual factors for all reflections included in the refinement | 0.0982 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7241612.cif |
| 261584 | 2021-02-05 | cif/ Updating files of 7241604, 7241605, 7241606, 7241607, 7241608, 7241609, 7241610, 7241611, 7241612, 7241613, 7241614, 7241615, 7241616 Original log message: Adding full bibliography for 7241604--7241616.cif. |
7241612.cif |
| 259326 | 2020-11-29 | cif/ Adding structures of 7241604, 7241605, 7241606, 7241607, 7241608, 7241609, 7241610, 7241611, 7241612, 7241613, 7241614, 7241615, 7241616 via cif-deposit CGI script. |
7241612.cif |
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Users of the data should acknowledge the original authors of the
structural data.