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Information card for entry 4035718
Preview
| Coordinates | 4035718.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H36 N2 O3 S |
|---|---|
| Calculated formula | C30 H36 N2 O3 S |
| SMILES | S(=O)(N(Cc1ccccc1)[C@@H](C[C@@]1(C(=O)N(Cc2ccccc2)c2c1cccc2)C)CO)C(C)(C)C |
| Title of publication | Enantioselective Total Synthesis of (+)-Nocardioazine B. |
| Authors of publication | Shen, Xianfu; Zhao, Jingfeng; Xi, Yongkai; Chen, Wen; Zhou, Yongyun; Yang, Xiaodong; Zhang, Hongbin |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 23 |
| Pages of publication | 14507 - 14517 |
| a | 11.9046 ± 0.0017 Å |
| b | 12.6632 ± 0.0018 Å |
| c | 18.593 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2802.9 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0426 |
| Residual factor for significantly intense reflections | 0.0345 |
| Weighted residual factors for significantly intense reflections | 0.082 |
| Weighted residual factors for all reflections included in the refinement | 0.0862 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301828 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
4035718.cif |
| 227166 | 2019-11-11 | cif/ Adding structures of 4035718 via cif-deposit CGI script. |
4035718.cif |
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Users of the data should acknowledge the original authors of the
structural data.