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Information card for entry 7130950
Preview
| Coordinates | 7130950.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H23 Cl4 N O10 |
|---|---|
| Calculated formula | C23 H23 Cl4 N O10 |
| SMILES | Clc1c(Cl)c(Cl)c(Cl)c2C(=O)N(OC(=O)[C@H]3O[C@]4(OC(O[C@@]4(C(=O)OCC)C)(C)C)CC[C@@H]3OC)C(=O)c12 |
| Title of publication | Convergent Synthesis of Tetrahydropyranyl Side Chain of Verucopeptin, an Antitumor Antibiotic Active against Multidrug-resistant Cancers |
| Authors of publication | Sun, Yuanjun; Tang, Wenhao; Ni, Huxin; Wang, Mei; Huang, Bin; Long, Yaqiu |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 8.1465 ± 0.0003 Å |
| b | 8.8611 ± 0.0003 Å |
| c | 38.0503 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2746.74 ± 0.16 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 ± 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 | 0.0963 |
| Residual factor for significantly intense reflections | 0.0753 |
| Weighted residual factors for significantly intense reflections | 0.1614 |
| Weighted residual factors for all reflections included in the refinement | 0.1782 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.137 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278928 (current) | 2022-11-04 | cif/ Adding structures of 7130950 via cif-deposit CGI script. |
7130950.cif |
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Users of the data should acknowledge the original authors of the
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