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Information card for entry 7241613
Preview
| Coordinates | 7241613.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H28 N O7.5 |
|---|---|
| Calculated formula | C22 H28 N O7.5 |
| SMILES | O(c1c2c(cc(OC)c1OC)CC[C@H](NC(=O)C)C1=CC(=O)C(OC)=CC=C21)C.O.O |
| 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 | 13.829 ± 0.004 Å |
| b | 10.484 ± 0.004 Å |
| c | 15.998 ± 0.005 Å |
| α | 90° |
| β | 110.885 ± 0.006° |
| γ | 90° |
| Cell volume | 2167 ± 1.2 Å3 |
| Cell temperature | 205 K |
| Ambient diffraction temperature | 205 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1701 |
| Residual factor for significantly intense reflections | 0.076 |
| Weighted residual factors for significantly intense reflections | 0.1676 |
| Weighted residual factors for all reflections included in the refinement | 0.2126 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.958 |
| 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. |
7241613.cif |
| 296876 | 2024-12-16 | cif/7: Fixing Z values and formulae |
7241613.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. |
7241613.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. |
7241613.cif |
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