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Information card for entry 2011684
Preview
| Coordinates | 2011684.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 2,4,6-Trimethoxy-3-(1-chlorovinyl)benzaldehyde |
|---|---|
| Formula | C12 H13 Cl O4 |
| Calculated formula | C12 H13 Cl O4 |
| SMILES | ClC(=C)c1c(OC)c(c(OC)cc1OC)C=O |
| Title of publication | 3-(1-Chlorovinyl)-2,4,6-trimethoxybenzaldehyde |
| Authors of publication | Panda, Atulya K.; Parthasarathy, M. R.; Errington, William |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 1 |
| Pages of publication | 102 - 103 |
| a | 8.0516 ± 0.0012 Å |
| b | 8.1214 ± 0.0012 Å |
| c | 9.9064 ± 0.0015 Å |
| α | 88.427 ± 0.004° |
| β | 86.171 ± 0.004° |
| γ | 67.868 ± 0.003° |
| Cell volume | 598.71 ± 0.16 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 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 | 0.0508 |
| Residual factor for significantly intense reflections | 0.0464 |
| Weighted residual factors for all reflections included in the refinement | 0.1369 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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