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Information card for entry 2005546
Preview
| Coordinates | 2005546.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 2,4,6-triphenyl pyran-3,5-dicarboxaldehyde |
|---|---|
| Formula | C25 H18 O3 |
| Calculated formula | C25 H18 O3 |
| SMILES | O=CC1=C(OC(=C(C1c1ccccc1)C=O)c1ccccc1)c1ccccc1 |
| Title of publication | 2,4,6-Triphenyl-4<i>H</i>-pyran-3,5-dicarboxaldehyde |
| Authors of publication | Selladurai, S.; Murugesan, R.; Subramanian, K.; Chen, Y. S.; Rao, S. N.; Holt, E. M. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 10 |
| Pages of publication | 2599 - 2601 |
| a | 10.566 ± 0.001 Å |
| b | 7.88 ± 0.001 Å |
| c | 11.572 ± 0.001 Å |
| α | 90° |
| β | 99.18 ± 0.01° |
| γ | 90° |
| Cell volume | 951.15 ± 0.17 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.0446 |
| Goodness-of-fit parameter for significantly intense reflections | 1.1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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