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CIF Information Card
Information card for 7151818
7151817 << 7151818 >> 7151819Preview
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Coordinates |
7151818.cif |
Structure parameters
| Formula | - C19 H22 O3 - |
| Calculated formula | - C19 H22 O3 - |
| Title of publication | Photochemical [2 + 2] cycloaddition reactions of 6-alkenyl-3-phenylcyclohex-2-en-1-ones: using biradical conformation control to account for exceptions to the "rule of five". |
| Authors of publication | Bradley, Stephen A.; Bresnan, Brian J.; Draper, Sylvia M.; Geraghty, Niall W. A.; Jeffares, Mark; McCabe, Thomas; McMurry, T Brian H; O'Brien, John E |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 8 |
| Pages of publication | 2959 - 2968 |
| a | 6.6266 ± 0.0007 Å |
| b | 10.1023 ± 0.001 Å |
| c | 12.3043 ± 0.0011 Å |
| α | 90.769 ± 0.008° |
| β | 96.613 ± 0.01° |
| γ | 103.792 ± 0.008° |
| Cell volume | 793.91 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0523 |
| Residual factor for observed reflections | 0.0373 |
| Weighted residual factors for the observed reflections | 0.0919 |
| Weighted residual factors for all reflections included in the refinement | 0.1003 |
| Goodness-of-fit parameter for observed reflections | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |