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Information card for entry 2200143
Preview
| Coordinates | 2200143.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | 2-(3-cyano-6-methylcoumarin-4-yl)-1-(4-methoxyphenyl)ethene |
|---|---|
| Chemical name | 3-cyano-4-[2-(4-methoxyphenyl)ethenyl]-6-methyl-2H-1-benzopyran-2-one |
| Formula | C20 H15 N O3 |
| Calculated formula | C20 H15 N O3 |
| SMILES | O1C(=O)C(=C(c2cc(ccc12)C)/C=C/c1ccc(cc1)OC)C#N |
| Title of publication | 3-Cyano-4-[2-(4-methoxyphenyl)ethenyl]-6-methyl-2<i>H</i>-1-benzopyran-2-one |
| Authors of publication | Vijayalakshmi, L; Parthasarathi, V; Varu, Bharat; Shah, Anamik |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 3 |
| Pages of publication | o245 - o246 |
| a | 7.8683 ± 0.0012 Å |
| b | 7.913 ± 0.002 Å |
| c | 26.0869 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1624.2 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.057 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for all reflections included in the refinement | 0.144 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.17 |
| Diffraction radiation wavelength | 1.54175 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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