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Information card for entry 7155018
Preview
| Coordinates | 7155018.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Compound 10 |
|---|---|
| Formula | C11 H13 N5 O4 |
| Calculated formula | C11 H13 N5 O4 |
| SMILES | c1nc2c(c(n1)N)ncn2[C@H]1[C@H]([C@@H](COC(=O)C)O1)O |
| Title of publication | Synthesis and absolute configuration assignment of albucidin: a late-stage reductive deiodination by visible light photocatalysis. |
| Authors of publication | Zhang, Hu; Liu, Peng-Fei; Chen, Qiong; Wu, Qiong-You; Seville, Anne; Gu, Yu-Cheng; Clough, John; Zhou, Shao-Lin; Yang, Guang-Fu |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2016 |
| Journal volume | 14 |
| Journal issue | 13 |
| Pages of publication | 3482 - 3485 |
| a | 7.4773 ± 0.001 Å |
| b | 8.2931 ± 0.0011 Å |
| c | 20.419 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1266.2 ± 0.3 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 | 0.0409 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.1079 |
| Weighted residual factors for all reflections included in the refinement | 0.1122 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7155018.cif |
| 181780 | 2016-04-05 | cif/ Updating files of 7155018, 7155019, 7155020 Original log message: Adding full bibliography for 7155018--7155020.cif. |
7155018.cif |
| 178042 | 2016-03-09 | cif/ Adding structures of 7155018, 7155019, 7155020 via cif-deposit CGI script. |
7155018.cif |
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Users of the data should acknowledge the original authors of the
structural data.