Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 1100245
1100244 << 1100245 >> 1100246Preview
|
Coordinates |
1100245.cif |
Structure parameters
| Chemical name | 5-Benzylmethyl-4-(2,2-dimethylpropylidene)-5-(1-cyclopropylethoxy)-oxazolidin- 2-one |
| Formula | - C21 H29 N O3 - |
| Calculated formula | - C26 H38 N O3 - |
| Authors of publication | T.Bach; B.Schlummer; K.Harms |
| Journal of publication | Synlett |
| Year of publication | 2000 |
| Pages of publication | 1330 |
| a | 13.514 ± 0.002 Å |
| b | 12.213 ± 0.003 Å |
| c | 12.644 ± 0.001 Å |
| α | 90° |
| β | 101.74 ± 0.02° |
| γ | 90° |
| Cell volume | 2043.19 Å3 |
| Ambient diffraction temperature | 213 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 observed reflections | 7.71 |
| Weighted residual factors for the observed reflections | 7.71 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |