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Information card for entry 2238952
Preview
| Coordinates | 2238952.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 4-Ethoxy-3-methoxybenzaldehyde |
|---|---|
| Formula | C10 H12 O3 |
| Calculated formula | C10 H12 O3 |
| SMILES | CCOc1ccc(cc1OC)C=O |
| Title of publication | 4-Ethoxy-3-methoxybenzaldehyde |
| Authors of publication | Leka, Zorica; Novaković, Sladjana B.; Bogdanović, Goran A.; Muškinja, Jovana; Vukićević, Rastko D. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 12 |
| Pages of publication | o1728 |
| a | 11.5314 ± 0.0016 Å |
| b | 8.7905 ± 0.0011 Å |
| c | 9.3363 ± 0.0013 Å |
| α | 90° |
| β | 97.339 ± 0.014° |
| γ | 90° |
| Cell volume | 938.6 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0659 |
| Residual factor for significantly intense reflections | 0.0468 |
| Weighted residual factors for significantly intense reflections | 0.1284 |
| Weighted residual factors for all reflections included in the refinement | 0.1475 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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