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CIF Information Card
Information card for 7151817
7151816 << 7151817 >> 7151818Preview
|
Coordinates |
7151817.cif |
Structure parameters
| Formula | - C18 H20 O3 - |
| Calculated formula | - C18 H20 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 | 6.6572 ± 0.0009 Å |
| b | 9.8399 ± 0.0008 Å |
| c | 12.3209 ± 0.0015 Å |
| α | 102.795 ± 0.008° |
| β | 99.112 ± 0.011° |
| γ | 105.356 ± 0.009° |
| Cell volume | 738.47 ± 0.16 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 | 0.1289 |
| Residual factor for observed reflections | 0.0513 |
| Weighted residual factors for the observed reflections | 0.1022 |
| Weighted residual factors for all reflections included in the refinement | 0.1254 |
| Goodness-of-fit parameter for observed reflections | 0.991 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |