Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 7151747
7151746 << 7151747 >> 7151748Preview
|
Coordinates |
7151747.cif |
Structure parameters
| Formula | - C16 H12 N2 O - |
| Calculated formula | - C16 H12 N2 O - |
| Title of publication | Stereoselective control in the Staudinger reactions involving monosubstituted ketenes with electron acceptor substituents: experimental investigation and theoretical rationalization. |
| Authors of publication | Qi, Hengzhen; Li, Xinyao; Xu, Jiaxi |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 8 |
| Pages of publication | 2702 - 2714 |
| a | 12.294 ± 0.004 Å |
| b | 4.9467 ± 0.0014 Å |
| c | 20.381 ± 0.006 Å |
| α | 90° |
| β | 101.322 ± 0.004° |
| γ | 90° |
| Cell volume | 1215.3 ± 0.6 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.0715 |
| Residual factor for observed reflections | 0.0453 |
| Weighted residual factors for the observed reflections | 0.0937 |
| Weighted residual factors for all reflections included in the refinement | 0.1044 |
| Goodness-of-fit parameter for observed reflections | 0.999 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |