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Information card for entry 8100883
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| Coordinates | Coordinates are not available: file is not found. |
|---|
| Formula | C7 H7 N3 O6 |
|---|---|
| Calculated formula | C7 H7 N3 O6 |
| SMILES | N(C(N(C=O)C=O)N(C=O)C=O)(C=O)C=O |
| Title of publication | Crystal structure of tris(diformylamino)methane, C~7~H~7~N~3~O~6~ |
| Authors of publication | Frey, Wolfgang; Kantlehner, Willi; Ziegler, Georg; Scherr, Oliver |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2001 |
| Journal volume | 216 |
| Journal issue | 1 |
| Pages of publication | 97 - 98 |
| a | 12.159 ± 0.002 Å |
| b | 10.661 ± 0.002 Å |
| c | 14.813 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1920.1 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.1068 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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