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Information card for entry 2108469
Preview
| Coordinates | 2108469.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H9 N O3 |
|---|---|
| Calculated formula | C8 H9 N O3 |
| SMILES | O/N=C/c1cc(OC)c(O)cc1 |
| Title of publication | From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime |
| Authors of publication | Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 4 |
| a | 42.55 ± 0.004 Å |
| b | 21.687 ± 0.002 Å |
| c | 19.9952 ± 0.0019 Å |
| α | 130.368 ± 0.012° |
| β | 170.4 ± 0.04° |
| γ | 48.973 ± 0.011° |
| Cell volume | 2321 ± 10 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217348 (current) | 2019-08-01 | cif/ hkl/ Adding structures of 2108462, 2108463, 2108464, 2108465, 2108466, 2108467, 2108468, 2108469 via cif-deposit CGI script. |
2108469.cif |
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Users of the data should acknowledge the original authors of the
structural data.