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Information card for entry 2214503
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| Coordinates | 2214503.cif |
|---|---|
| Structure factors | 2214503.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2E)-1-(3-Hydroxyphenyl)-3-(4-methylphenyl)prop-2-en-1-one |
|---|---|
| Formula | C16 H14 O2 |
| Calculated formula | C16 H14 O2 |
| SMILES | Oc1cc(ccc1)C(=O)/C=C/c1ccc(cc1)C |
| Title of publication | (2<i>E</i>)-1-(3-Hydroxyphenyl)-3-(4-methylphenyl)prop-2-en-1-one |
| Authors of publication | Butcher, Ray J.; Jasinski, Jerry P.; Narayana, B.; Lakshmana, K.; Yathirajan, H. S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2007 |
| Journal volume | 63 |
| Journal issue | 8 |
| Pages of publication | o3660 - o3660 |
| a | 7.6363 ± 0.0005 Å |
| b | 11.0786 ± 0.0005 Å |
| c | 15.2355 ± 0.0008 Å |
| α | 90° |
| β | 104.038 ± 0.006° |
| γ | 90° |
| Cell volume | 1250.42 ± 0.12 Å3 |
| Cell temperature | 203 K |
| Ambient diffraction temperature | 203 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 | 0.1053 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.1007 |
| Weighted residual factors for all reflections included in the refinement | 0.1161 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.85 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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