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Information card for entry 2011524
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| Coordinates | 2011524.cif |
|---|---|
| Structure factors | 2011524.hkl |
| Original IUCr paper | HTML |
| Common name | 4-vinylbenzoic acid |
|---|---|
| Chemical name | 4-vinylbenzoic acid |
| Formula | C9 H8 O2 |
| Calculated formula | C9 H8 O2 |
| SMILES | O=C(O)c1ccc(cc1)C=C |
| Title of publication | 4-Vinylbenzoic acid and 9-vinylanthracene |
| Authors of publication | Yasuda, Nobuhiro; Uekusa, Hidehiro; Ohashi, Yuji |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 11 |
| Pages of publication | 1364 - 1366 |
| a | 8.2876 ± 0.0016 Å |
| b | 6.5504 ± 0.0012 Å |
| c | 14.247 ± 0.002 Å |
| α | 90° |
| β | 102.651 ± 0.008° |
| γ | 90° |
| Cell volume | 754.7 ± 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.062 |
| Residual factor for significantly intense reflections | 0.0514 |
| Weighted residual factors for all reflections included in the refinement | 0.1388 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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