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Information card for entry 7118807
Preview
| Coordinates | 7118807.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H34 N2 O9 |
|---|---|
| Calculated formula | C30 H34 N2 O9 |
| SMILES | O(c1cccc2c1N1[C@@]3(N([C@H](C[C@]23O)C(=O)OCc2ccccc2)C(=O)OC(C)(C)C)[C@H](CCC1=O)C(=O)OC)C |
| Title of publication | Enantioselective total synthesis and structural reassignment of (+)-alsmaphorazine E via a traceless chirality transfer strategy. |
| Authors of publication | Yu, Kuan; Gao, Beiling; Liu, Zhaobo; Ding, Hanfeng |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 24 |
| Pages of publication | 4485 - 4488 |
| a | 9.09127 ± 0.00013 Å |
| b | 10.54359 ± 0.00015 Å |
| c | 30.6974 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2942.49 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 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 | 0.0357 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.0773 |
| Weighted residual factors for all reflections included in the refinement | 0.0803 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7118807.cif |
| 181552 | 2016-04-05 | cif/ Updating files of 7118807, 7118808 Original log message: Adding full bibliography for 7118807--7118808.cif. |
7118807.cif |
| 176988 | 2016-02-26 | cif/ Adding structures of 7118807, 7118808 via cif-deposit CGI script. |
7118807.cif |
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Users of the data should acknowledge the original authors of the
structural data.