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Information card for entry 1554824
Preview
| Coordinates | 1554824.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H14 O5 |
|---|---|
| Calculated formula | C20 H14 O5 |
| SMILES | c12cccc(c1[C@]1([C@@H](CC2=O)Oc2cccc3c(ccc1c23)O)O)O.c12cccc(c1[C@@]1([C@H](CC2=O)Oc2cccc3c(ccc1c23)O)O)O |
| Title of publication | Muta-mycosynthesis of naphthalene analogs. |
| Authors of publication | Tian, Yuan; Jiang, Nan; Zhang, Ai Hua; Chen, Chao Jun; Deng, Xin Zhao; Zhang, Wen Jing; Tan, Ren Xiang |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 6 |
| Pages of publication | 1457 - 1460 |
| a | 9.0391 ± 0.0003 Å |
| b | 9.7069 ± 0.0003 Å |
| c | 17.2285 ± 0.0005 Å |
| α | 90° |
| β | 102.573 ± 0.002° |
| γ | 90° |
| Cell volume | 1475.41 ± 0.08 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0408 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.1013 |
| Weighted residual factors for all reflections included in the refinement | 0.1042 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238141 (current) | 2019-11-24 | cif/ Adding structures of 1554824 via cif-deposit CGI script. |
1554824.cif |
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Users of the data should acknowledge the original authors of the
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