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Information card for entry 1559458
Preview
| Coordinates | 1559458.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 4-Hydroxy-3-methoxybenzaldehyde oxime, vanillinoxime |
|---|---|
| Formula | C8 H9 N O3 |
| Calculated formula | C8 N O3 |
| SMILES | O/N=C/c1cc(OC)c(O)cc1 |
| Title of publication | Hydrogen Bonding and Stereochemistry of Ring-Hydroxylated Aromatic Aldehyde Oximes. Crystal Structures of Three 4-OH-Substituted Benzaldehyde Oximes |
| Authors of publication | Jerslev, Bodil; Larsen, Sine |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1991 |
| Journal volume | 45 |
| Pages of publication | 285 - 291 |
| a | 6.372 ± 0.0003 Å |
| b | 16.6462 ± 0.0013 Å |
| c | 7.57 ± 0.0003 Å |
| α | 90° |
| β | 93.93 ± 0.004° |
| γ | 90° |
| Cell volume | 801.06 ± 0.08 Å3 |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.053 |
| Weighted residual factors for significantly intense reflections | 0.073 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.7 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258729 (current) | 2020-11-04 | cif/ Adding structures of 1559458 via cif-deposit CGI script. |
1559458.cif |
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