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Information card for entry 1512241
Preview
| Coordinates | 1512241.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H25 N O11 |
|---|---|
| Calculated formula | C30 H25 N O11 |
| SMILES | O1c2ccc(OC)c(O)c2C(=O)c2c1c(O)c1CCc3cc4C[C@@]5(OC(=O)[C@@](N5C(=O)c4c(O)c3c1c2O)(CO)C)C |
| Title of publication | Caspase-3-Dependent Apoptosis of Citreamicin ε-Induced HeLa Cells Is Associated with Reactive Oxygen Species Generation |
| Authors of publication | Liu, Ling-Li; He, Li-Sheng; Xu, Ying; Han, Zhuang; Li, Yong-Xin; Zhong, Jia-Liang; Guo, Xian-Rong; Zhang, Xi-Xiang; Ko, Kam Ming; Qian, Pei-Yuan |
| Journal of publication | Chemical Research in Toxicology |
| Year of publication | 2013 |
| Journal volume | 26 |
| Journal issue | 7 |
| Pages of publication | 1055 |
| a | 8.1965 ± 0.0016 Å |
| b | 14.197 ± 0.003 Å |
| c | 21.934 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2552.4 ± 0.9 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0815 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.1106 |
| Weighted residual factors for all reflections included in the refinement | 0.1308 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287926 (current) | 2023-12-01 | cif/ Corrected the misspelt variants of the '_chemical_absolute_configuration' data name in entries 1502829, 1512241, 4070388, 4071587, 4079072, 4515819, 7016382, 7020092, 7107390, 7151643, 7207221. |
1512241.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1512241.cif |
| 88037 | 2013-08-27 | cif/ Adding structures of 1512241 via cif-deposit CGI script. |
1512241.cif |
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Users of the data should acknowledge the original authors of the
structural data.