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CIF Information Card
Information card for 7151837
7151836 << 7151837 >> 7151838Preview
|
Coordinates |
7151837.cif |
Structure parameters
| Formula | - C36 H32 O P - |
| Calculated formula | - C36 H32 O P - |
| Title of publication | The thermal C2-C6/[2 + 2] cyclisation of enyne-allenes: reversible diradical formation. |
| Authors of publication | Cinar, Mehmet Emin; Vavilala, Chandrasekhar; Fan, Jian; Schmittel, Michael |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 10 |
| Pages of publication | 3776 - 3779 |
| a | 9.0854 ± 0.0018 Å |
| b | 13.43 ± 0.003 Å |
| c | 13.56 ± 0.003 Å |
| α | 96.34 ± 0.03° |
| β | 107.73 ± 0.03° |
| γ | 102.33 ± 0.03° |
| Cell volume | 1512 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.175 |
| Residual factor for observed reflections | 0.0501 |
| Weighted residual factors for the observed reflections | 0.1118 |
| Weighted residual factors for all reflections included in the refinement | 0.1455 |
| Goodness-of-fit parameter for observed reflections | 0.723 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |