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Information card for entry 1557938
Preview
| Coordinates | 1557938.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H19 N3 O3 S2 |
|---|---|
| Calculated formula | C17 H19 N3 O3 S2 |
| SMILES | S1S[C@@]2(N(C(=O)[C@]1(NC2=O)[C@@H](O)c1c2c([nH]c1)cccc2)C)C(C)C |
| Title of publication | Phaeosphaones: Tyrosinase Inhibitory Thiodiketopiperazines from an Endophytic Phaeosphaeria fuckelii |
| Authors of publication | Zhai, Yi-Jie; Huo, Guang-Ming; Zhang, Qiang; Li, Ding; Wang, Da-Cheng; Qi, Jian-Zhao; Han, Wen-Bo; Gao, Jin-Ming |
| Journal of publication | Journal of Natural Products |
| Year of publication | 2020 |
| a | 6.2397 ± 0.0005 Å |
| b | 10.6635 ± 0.001 Å |
| c | 12.6809 ± 0.0011 Å |
| α | 90° |
| β | 93.931 ± 0.005° |
| γ | 90° |
| Cell volume | 841.76 ± 0.13 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0623 |
| Residual factor for significantly intense reflections | 0.0592 |
| Weighted residual factors for significantly intense reflections | 0.1538 |
| Weighted residual factors for all reflections included in the refinement | 0.1568 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251239 (current) | 2020-04-28 | cif/ Adding structures of 1557938 via cif-deposit CGI script. |
1557938.cif |
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Users of the data should acknowledge the original authors of the
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