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Information card for entry 2214448
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| Coordinates | 2214448.cif |
|---|---|
| Structure factors | 2214448.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-(1-Phenylethyl)benzene-1,3-diol |
|---|---|
| Formula | C14 H14 O2 |
| Calculated formula | C14 H14 O2 |
| SMILES | c1(cc(ccc1C(C)c1ccccc1)O)O |
| Title of publication | 4-(1-Phenylethyl)benzene-1,3-diol |
| Authors of publication | Zhi-Yun Du; Xue-Tao Xu; Kun Zhang; Bao-Hua Huang; Yan-Xiong Fang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2007 |
| Journal volume | 63 |
| Journal issue | 7 |
| Pages of publication | o3217 - o3217 |
| a | 13.131 ± 0.004 Å |
| b | 5.7841 ± 0.0015 Å |
| c | 30.046 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2282 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.07 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.09 |
| Weighted residual factors for all reflections included in the refinement | 0.103 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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