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Information card for entry 2011711
Preview
| Coordinates | 2011711.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | (E)-5-Methoxy-1-Methylindole-3-carboxyaldehyde oxime |
|---|---|
| Formula | C11 H12 N2 O2 |
| Calculated formula | C11 H12 N2 O2 |
| SMILES | COc1ccc2c(c1)c(cn2C)/C=N/O |
| Title of publication | 1-Methylindole-3-carboxaldehyde oxime derivatives |
| Authors of publication | Janes, Robert W.; Potter, Brian S.; Naylor, Matthew A.; Ferguson, Amanda C.; Patel, Kantilal B.; Stratford, Michael R. L.; Wardman, Peter; Everett, Steven A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 1 |
| Pages of publication | 58 - 61 |
| a | 8.2351 ± 0.0002 Å |
| b | 15.8892 ± 0.0007 Å |
| c | 17.807 ± 0.0011 Å |
| α | 71.148 ± 0.004° |
| β | 81.245 ± 0.004° |
| γ | 75.124 ± 0.003° |
| Cell volume | 2125.02 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.11 |
| Residual factor for significantly intense reflections | 0.054 |
| Weighted residual factors for all reflections included in the refinement | 0.173 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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