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Information card for entry 2005315
Preview
| Coordinates | 2005315.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C13 H12 N2 O5 |
|---|---|
| Calculated formula | C13 H11.55 N2 O5 |
| Title of publication | 4-(5-Methyl-1,3,4-oxadiazol-2-yl)-1,3-phenylene Diacetate |
| Authors of publication | Vencato, I.; Gallardo, H.; Meyer, E. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 9 |
| Pages of publication | 2301 - 2303 |
| a | 5.6286 ± 0.0007 Å |
| b | 10.257 ± 0.001 Å |
| c | 12.0111 ± 0.0005 Å |
| α | 100.924 ± 0.007° |
| β | 100.118 ± 0.006° |
| γ | 101.45 ± 0.01° |
| Cell volume | 650.72 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0548 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for all reflections | 0.1421 |
| Weighted residual factors for significantly intense reflections | 0.123 |
| Goodness-of-fit parameter for all reflections | 1.083 |
| Goodness-of-fit parameter for significantly intense reflections | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.