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Information card for entry 2204526
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| Coordinates | 2204526.cif |
|---|---|
| Structure factors | 2204526.hkl |
| Original IUCr paper | HTML |
| Chemical name | Methyl 2-{[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methoxy}phenylacetate |
|---|---|
| Formula | C18 H15 N3 O6 |
| Calculated formula | C18 H15 N3 O6 |
| SMILES | O(c1ccccc1CC(=O)OC)Cc1onc(n1)c1ccc(N(=O)=O)cc1 |
| Title of publication | Methyl 2-{[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methoxy}phenylacetate |
| Authors of publication | Wang, Hai-Bo; Chen, Jia-Hui; Pu, Yue-Qing; Wang, Jin-Tang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 11 |
| Pages of publication | o2073 - o2075 |
| a | 10.436 ± 0.002 Å |
| b | 5.18 ± 0.001 Å |
| c | 31.56 ± 0.006 Å |
| α | 90° |
| β | 92.94 ± 0.03° |
| γ | 90° |
| Cell volume | 1703.8 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1322 |
| Residual factor for significantly intense reflections | 0.0536 |
| Weighted residual factors for significantly intense reflections | 0.1472 |
| Weighted residual factors for all reflections included in the refinement | 0.1897 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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