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Information card for entry 1550461
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| Coordinates | 1550461.cif |
|---|---|
| Structure factors | 1550461.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5,5-Diphenyl-<i>cis</i>-penta-2,4-dienoic acid |
|---|---|
| Formula | C17 H14 O2 |
| Calculated formula | C17 H14 O2 |
| SMILES | O=C(O)/C=C\C=C(c1ccccc1)c1ccccc1 |
| Title of publication | 5,5-Diphenyl-<i>cis</i>-penta-2,4-dienoic acid |
| Authors of publication | Pineda, Leslie W.; Amey, Adam; Cabezas, Jorge A. |
| Journal of publication | IUCrData |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 1 |
| Pages of publication | x181799 |
| a | 9.0801 ± 0.0004 Å |
| b | 15.4598 ± 0.0007 Å |
| c | 10.092 ± 0.0004 Å |
| α | 90° |
| β | 109.453 ± 0.001° |
| γ | 90° |
| Cell volume | 1335.81 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0625 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.0943 |
| Weighted residual factors for all reflections included in the refinement | 0.101 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213012 (current) | 2019-01-12 | cif/ hkl/ Adding structures of 1550461 via cif-deposit CGI script. |
1550461.cif 1550461.hkl |
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Users of the data should acknowledge the original authors of the
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