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Information card for entry 7246989
Preview
| Coordinates | 7246989.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H11 N O2 |
|---|---|
| Calculated formula | C10 H11 N O2 |
| SMILES | O=Cc1[nH]c(CC)c2c1CCC2=O |
| Title of publication | Pyrrole alkaloids from the fruiting bodies of edible mushroom <i>Lentinula edodes</i>. |
| Authors of publication | Zhao, Zhen-Zhu; Zhang, Fei; Ji, Bao-Yu; Zhou, Ning; Chen, Hui; Sun, Yan-Jun; Feng, Wei-Sheng; Zheng, Xiao-Ke |
| Journal of publication | RSC advances |
| Year of publication | 2023 |
| Journal volume | 13 |
| Journal issue | 27 |
| Pages of publication | 18223 - 18228 |
| a | 6.703 ± 0.0004 Å |
| b | 9.0452 ± 0.0006 Å |
| c | 15.009 ± 0.0009 Å |
| α | 90° |
| β | 93.234 ± 0.002° |
| γ | 90° |
| Cell volume | 908.55 ± 0.1 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0407 |
| Residual factor for significantly intense reflections | 0.0397 |
| Weighted residual factors for significantly intense reflections | 0.1095 |
| Weighted residual factors for all reflections included in the refinement | 0.1107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284815 (current) | 2023-07-05 | cif/ Adding structures of 7246989 via cif-deposit CGI script. |
7246989.cif |
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Users of the data should acknowledge the original authors of the
structural data.