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Information card for entry 2239086
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| Coordinates | 2239086.cif |
|---|---|
| Structure factors | 2239086.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (<i>E</i>)-3-(4-Heptyloxyphenyl)-1-phenylprop-2-en-1-one |
|---|---|
| Formula | C22 H26 O2 |
| Calculated formula | C22 H26 O2 |
| SMILES | CCCCCCCOc1ccc(cc1)/C=C/C(=O)c1ccccc1 |
| Title of publication | (<i>E</i>)-3-(4-Heptyloxyphenyl)-1-phenylprop-2-en-1-one |
| Authors of publication | McKoy, Davia; Franks, Marion A.; Assefa, Zerihun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | o163 - o164 |
| a | 5.6069 ± 0.0009 Å |
| b | 7.7822 ± 0.0013 Å |
| c | 22.864 ± 0.004 Å |
| α | 81.101 ± 0.005° |
| β | 85.571 ± 0.005° |
| γ | 69.879 ± 0.004° |
| Cell volume | 925.2 ± 0.3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0704 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.1238 |
| Weighted residual factors for all reflections included in the refinement | 0.1517 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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