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Information card for entry 2012055
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| Coordinates | 2012055.cif |
|---|---|
| Structure factors | 2012055.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 1,4-dihydro-2,4,6-triphenylpyridine-3-carboxylate |
|---|---|
| Formula | C26 H23 N O2 |
| Calculated formula | C26 H23 N O2 |
| SMILES | N1C(=C(C(C=C1c1ccccc1)c1ccccc1)C(=O)OCC)c1ccccc1 |
| Title of publication | Dimorphism of ethyl 1,4-dihydro-2,4,6-triphenylpyridine-3-carboxylate |
| Authors of publication | Bolte, Michael |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 6 |
| Pages of publication | 772 - 774 |
| a | 7.5178 ± 0.0001 Å |
| b | 10.0669 ± 0.0002 Å |
| c | 14.6364 ± 0.0002 Å |
| α | 73.534 ± 0.001° |
| β | 80.826 ± 0.001° |
| γ | 81.478 ± 0.001° |
| Cell volume | 1042.46 ± 0.03 Å3 |
| Cell temperature | 163 K |
| Ambient diffraction temperature | 163 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.044 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for all reflections included in the refinement | 0.095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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