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Information card for entry 7228832
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| Coordinates | 7228832.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | SF2738E |
|---|---|
| Formula | C15 H17 N3 O2 S |
| Calculated formula | C15.25 H17 N3 O2 S |
| SMILES | S(c1c(nc(c2ncccc2)cc1OC)CNC(=O)C)C |
| Title of publication | Targeted isolation of sulfur-containing metabolites from Lsr2-deletion mutant strain of Streptomyces roseosporus |
| Authors of publication | Deng, Lina; Wang, Rui; Wang, Guowei; Liu, Mingxu; Liao, Guojian; Liao, Zhihua; Chen, Min |
| Journal of publication | RSC Adv. |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 60 |
| Pages of publication | 37771 |
| a | 11.2581 ± 0.0002 Å |
| b | 28.6822 ± 0.001 Å |
| c | 19.2173 ± 0.0005 Å |
| α | 90° |
| β | 103.658 ± 0.002° |
| γ | 90° |
| Cell volume | 6029.9 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0853 |
| Residual factor for significantly intense reflections | 0.0536 |
| Weighted residual factors for significantly intense reflections | 0.1266 |
| Weighted residual factors for all reflections included in the refinement | 0.146 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202518 (current) | 2017-11-02 | cif/7 Fixing some Z values and formulae |
7228832.cif |
| 199457 | 2017-08-02 | cif/ Adding structures of 7228832 via cif-deposit CGI script. |
7228832.cif |
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Users of the data should acknowledge the original authors of the
structural data.