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Information card for entry 2214490
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| Coordinates | 2214490.cif |
|---|---|
| Structure factors | 2214490.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2E)-3-(Biphenyl-4-yl)-1-(quinolin-2-yl)prop-2-en-1-one |
|---|---|
| Formula | C24 H17 N O |
| Calculated formula | C24 H17 N O |
| SMILES | O=C(c1nc2c(cc1)cccc2)/C=C/c1ccc(cc1)c1ccccc1 |
| Title of publication | (2<i>E</i>)-3-(Biphenyl-4-yl)-1-(quinolin-2-yl)prop-2-en-1-one |
| Authors of publication | Butcher, Ray J.; Jasinski, Jerry P.; Narayana, B.; Mayekar, Anil N.; Yathirajan, H. S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2007 |
| Journal volume | 63 |
| Journal issue | 8 |
| Pages of publication | o3546 - o3546 |
| a | 5.9808 ± 0.0012 Å |
| b | 11.9617 ± 0.0018 Å |
| c | 13.2239 ± 0.0016 Å |
| α | 109.401 ± 0.012° |
| β | 92.981 ± 0.013° |
| γ | 102.967 ± 0.015° |
| Cell volume | 861.3 ± 0.3 Å3 |
| Cell temperature | 203 K |
| Ambient diffraction temperature | 203 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 | 0.0732 |
| Residual factor for significantly intense reflections | 0.0473 |
| Weighted residual factors for significantly intense reflections | 0.1292 |
| Weighted residual factors for all reflections included in the refinement | 0.1484 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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