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Information card for entry 2008187
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| Coordinates | 2008187.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | Acetic acid |
|---|---|
| Chemical name | Ethanoic acid |
| Formula | C2 H4 O2 |
| Calculated formula | C2 H4 O2 |
| SMILES | OC(=O)C |
| Title of publication | Acetic acid at 40K |
| Authors of publication | Boese, Roland; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 2 |
| Pages of publication | IUC9900001 |
| a | 13.151 ± 0.003 Å |
| b | 3.923 ± 0.001 Å |
| c | 5.762 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 297.27 ± 0.11 Å3 |
| Cell temperature | 40 ± 2 K |
| Ambient diffraction temperature | 40 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0413 |
| Residual factor for significantly intense reflections | 0.0397 |
| Weighted residual factors for all reflections included in the refinement | 0.0986 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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