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Information card for entry 8106613
Preview
| Coordinates | 8106613.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H16 O2 |
|---|---|
| Calculated formula | C17 H16 O2 |
| SMILES | c1cc(ccc1/C=C/C(=O)c1ccc(cc1)C)OC |
| Title of publication | Crystal structure of 3-(4-methoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one, C17H16O2 |
| Authors of publication | Köysal, Yavuz; Bülbül, Hakan; Özdemir, Funda; İlhan, İlhan Özer; Dege, Necmi |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 4 |
| Pages of publication | 593 - 594 |
| a | 11.6963 ± 0.0012 Å |
| b | 11.1187 ± 0.0008 Å |
| c | 11.6902 ± 0.001 Å |
| α | 90° |
| β | 115.545 ± 0.007° |
| γ | 90° |
| Cell volume | 1371.7 ± 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.08 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.0762 |
| Weighted residual factors for all reflections included in the refinement | 0.0865 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.807 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280654 (current) | 2023-01-28 | cif/ Adding structures of 8106613 via cif-deposit CGI script. |
8106613.cif |
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Users of the data should acknowledge the original authors of the
structural data.