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Information card for entry 2202614
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| Coordinates | 2202614.cif |
|---|---|
| Structure factors | 2202614.hkl |
| Original IUCr paper | HTML |
| Common name | 4-Hydroxy allyl benzoate |
|---|---|
| Chemical name | 4-Hydroxy-benzoic acid allyl ester |
| Formula | C10 H10 O3 |
| Calculated formula | C10 H10 O3 |
| SMILES | C=CCOC(=O)c1ccc(cc1)O |
| Title of publication | Allyl 4-hydroxybenzoate |
| Authors of publication | Herrera, Ana M.; Bernès, Sylvain; .; López, Delia; . |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 10 |
| Pages of publication | o1522 - o1524 |
| a | 12.6682 ± 0.0012 Å |
| b | 13.2891 ± 0.001 Å |
| c | 11.5196 ± 0.001 Å |
| α | 90° |
| β | 108.45 ± 0.007° |
| γ | 90° |
| Cell volume | 1839.6 ± 0.3 Å3 |
| Cell temperature | 296 ± 1 K |
| Ambient diffraction temperature | 296 ± 1 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 | 0.0984 |
| Residual factor for significantly intense reflections | 0.0521 |
| Weighted residual factors for significantly intense reflections | 0.1284 |
| Weighted residual factors for all reflections included in the refinement | 0.1507 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
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