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Information card for entry 2003275
Preview
| Coordinates | 2003275.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 2-Fluoro-8,8-Dimethyl-9-Oxa-4,7-Diazabicyclo[4.3.0]Nona-1,6-Dien-3,5-Dione |
|---|---|
| Formula | C8 H7 F N2 O3 |
| Calculated formula | C8 H7 F N2 O3 |
| SMILES | O=C1NC(=O)C(=C2C1=NC(O2)(C)C)F |
| Title of publication | 5-Fluoro-8,8-dimethyl-7-oxa-3,9-diazabicyclo[4.3.0]nona-5,9-diene-2,4-dione (C~8~H~7~FN~2~O~3~): a Novel Product from Pyrolysis of <i>N</i>-Isopropylidene-<i>O</i>-tetrafluoro-4-pyridylhydroxylamine in Glass |
| Authors of publication | Banks, R. E.; Jondi, W. J.; Pritchard, R. G.; Tipping, A. E. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 3 |
| Pages of publication | 515 - 517 |
| a | 25.171 ± 0.003 Å |
| b | 5.245 ± 0.001 Å |
| c | 15.557 ± 0.002 Å |
| α | 90° |
| β | 121.92 ± 0.02° |
| γ | 90° |
| Cell volume | 1743.3 ± 0.6 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.027 |
| Goodness-of-fit parameter for significantly intense reflections | 1.947 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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