Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 7151819
7151818 << 7151819 >> 7151820Preview
|
Coordinates |
7151819.cif |
Structure parameters
| Formula | - C17 H18 O3 - |
| Calculated formula | - C17 H18 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 | 6.121 ± 0.006 Å |
| b | 10.219 ± 0.003 Å |
| c | 12.1028 ± 0.0018 Å |
| α | 80.995 ± 0.017° |
| β | 83.01 ± 0.03° |
| γ | 82.18 ± 0.05° |
| Cell volume | 736.8 ± 0.8 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 | 0.1294 |
| Residual factor for observed reflections | 0.0527 |
| Weighted residual factors for the observed reflections | 0.1029 |
| Weighted residual factors for all reflections included in the refinement | 0.1273 |
| Goodness-of-fit parameter for observed reflections | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |