Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 2015363
2015362 << 2015363 >> 2015364Preview
|
Coordinates |
2015363.cif |
|
Structure factors |
2015363.hkl |
|
Original IUCr paper |
HTML |
Structure parameters
| Chemical name | rac-2-(2-hydroxy-1-phenylethyl)-4,4-dimethyl-1,3-oxazol-5(4H)-one |
| Formula | - C13 H15 N O3 - |
| Calculated formula | - C13 H15 N O3 - |
| Title of publication | <i>cis</i>-(6<i>RS</i>,13<i>RS</i>)-3,3,10,10-Tetramethyl-6,13-diphenyl-1,8-dioxa- 4,11-diazacyclotetradecane-2,5,9,12-tetraone and two of its precursors |
| Authors of publication | Linden, Anthony; Iliev, Boyan; Heimgartner, Heinz |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 6 |
| Pages of publication | o339 - o343 |
| a | 10.1934 ± 0.0002 Å |
| b | 9.9466 ± 0.0002 Å |
| c | 11.9331 ± 0.0003 Å |
| α | 90° |
| β | 103.392 ± 0.0009° |
| γ | 90° |
| Cell volume | 1177 ± 0.04 Å3 |
| Cell temperature | 160 ± 1 K |
| Ambient diffraction temperature | 160 ± 1 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 | 0.0597 |
| Residual factor for observed reflections | 0.042 |
| Weighted residual factors for the observed reflections | 0.0974 |
| Weighted residual factors for all reflections included in the refinement | 0.1078 |
| Goodness-of-fit parameter for observed reflections | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |