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CIF Information Card
Information card for 7151759
7151758 << 7151759 >> 7151760Preview
|
Coordinates |
7151759.cif |
Structure parameters
| Formula | - C12 H11 N O5 - |
| Calculated formula | - C12 H13 N O5 - |
| Title of publication | A general approach to high-yielding asymmetric synthesis of chiral 3-alkyl-4-nitromethylchromans via cascade Barbas-Michael and acetalization reactions. |
| Authors of publication | Ramachary, Dhevalapally B.; Prasad, M. Shiva; Madhavachary, R. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 8 |
| Pages of publication | 2715 - 2721 |
| a | 5.6366 ± 0.0002 Å |
| b | 12.6433 ± 0.0007 Å |
| c | 16.9777 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1209.92 ± 0.09 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 21 21 21 |
| Hall symmetry space group | P 2ac 2ab |
| Residual factor for all reflections | 0.094 |
| Residual factor for observed reflections | 0.092 |
| Weighted residual factors for the observed reflections | 0.2279 |
| Weighted residual factors for all reflections included in the refinement | 0.2354 |
| Goodness-of-fit parameter for observed reflections | 1.118 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |