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Information card for entry 7229651
Preview
| Coordinates | 7229651.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H15 N O3 |
|---|---|
| Calculated formula | C13 H15 N O3 |
| SMILES | N12C(=O)[C@H](O)[C@@H]([C@@H]1CCC2)c1ccc(O)cc1 |
| Title of publication | Antimicrobial alkaloids produced by the mangrove endophyte Penicillium brocae MA-231 using the OSMAC approach |
| Authors of publication | Meng, Ling-Hong; Li, Xiao-Ming; Liu, Yang; Xu, Gang-Ming; Wang, Bin-Gui |
| Journal of publication | RSC Advances |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 87 |
| Pages of publication | 55026 |
| a | 9.5217 ± 0.0008 Å |
| b | 9.7711 ± 0.0011 Å |
| c | 12.4273 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1156.2 ± 0.19 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0483 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.0981 |
| Weighted residual factors for all reflections included in the refinement | 0.1048 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203969 (current) | 2017-12-05 | cif/ Adding structures of 7229650, 7229651, 7229652, 7229653 via cif-deposit CGI script. |
7229651.cif |
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Users of the data should acknowledge the original authors of the
structural data.