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Information card for entry 7120393
Preview
| Coordinates | 7120393.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C2 H4 N2 O2 |
|---|---|
| Calculated formula | C2 N2 O2 |
| SMILES | O=C(N)NC=O |
| Title of publication | Determination of a molecular crystal structure by X-ray powder diffraction on a conventional laboratory instrument |
| Authors of publication | Philip Lightfoot; Maryjane Tremayne; Kenneth D. M. Harris; Peter G. Bruce |
| Journal of publication | Journal of the Chemical Society, Chemical Communications |
| Year of publication | 1992 |
| Journal issue | 14 |
| Pages of publication | 1012 - 1013 |
| a | 16.8156 ± 0.0005 Å |
| b | 6.0608 ± 0.0001 Å |
| c | 3.6696 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 373.991 ± 0.016 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n 21 a |
| Hall space group symbol | P -2ac -2n |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54056 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198534 (current) | 2017-07-07 | cif/ Adding structures of 7120393 via cif-deposit CGI script. |
7120393.cif |
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Users of the data should acknowledge the original authors of the
structural data.