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CIF Information Card
Information card for 7108521
7108520 << 7108521 >> 7108522Preview
|
Coordinates |
7108521.cif |
Structure parameters
| Formula | - C25 H23 N O3 S - |
| Calculated formula | - C25 H23 N O3 S - |
| Title of publication | Highly enantioselective [4 + 2] cyclization of chloroaldehydes and 1-azadienes catalyzed by N-heterocyclic carbenes |
| Authors of publication | Teng-Yue Jian; Li-Hui Sun; Song Ye |
| Journal of publication | Chem.Commun. |
| Year of publication | 2012 |
| Journal volume | 48 |
| Pages of publication | 10907 |
| a | 7.4766 ± 0.0015 Å |
| b | 8.0156 ± 0.0016 Å |
| c | 36.105 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2163.8 ± 0.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 21 21 21 |
| Hall symmetry space group | P 2ac 2ab |
| Residual factor for all reflections | 0.0464 |
| Residual factor for observed reflections | 0.0425 |
| Weighted residual factors for the observed reflections | 0.1017 |
| Weighted residual factors for all reflections included in the refinement | 0.1069 |
| Goodness-of-fit parameter for observed reflections | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |