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Information card for entry 8105892
Preview
| Coordinates | 8105892.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 4-isobutoxybenzaldehyde oxime |
|---|---|
| Formula | C11 H15 N O2 |
| Calculated formula | C11 H15 N O2 |
| SMILES | O(CC(C)C)c1ccc(cc1)/C=N/O |
| Title of publication | Crystal structure of 4-isobutoxybenzaldehyde oxime, C11H15NO2 |
| Authors of publication | Tang, Xian; Wang, De-Cai |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 234 |
| Journal issue | 5 |
| Pages of publication | 923 - 924 |
| a | 13.5152 ± 0.0002 Å |
| b | 6.1912 ± 0.0001 Å |
| c | 14.3917 ± 0.0002 Å |
| α | 90° |
| β | 115.467 ± 0.002° |
| γ | 90° |
| Cell volume | 1087.22 ± 0.03 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0408 |
| Residual factor for significantly intense reflections | 0.0384 |
| Weighted residual factors for significantly intense reflections | 0.1074 |
| Weighted residual factors for all reflections included in the refinement | 0.1104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278585 (current) | 2022-10-14 | cif/ Adding structures of 8105892 via cif-deposit CGI script. |
8105892.cif |
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