Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 7151793
7151792 << 7151793 >> 7151794Preview
|
Coordinates |
7151793.cif |
Structure parameters
| Formula | - C24 H23 F3 N2 O3 S - |
| Calculated formula | - C24 H23 F3 N2 O3 S1 - |
| Title of publication | Synthesis of a family of 3-alkyl- or 3-aryl-substituted 1,2-dihydroquinazolinium salts and their isomerization to 4-iminium-1,2,3,4-tetrahydroquinolines. |
| Authors of publication | Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Bautista, Delia; Jones, Peter G. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 7 |
| Pages of publication | 2279 - 2285 |
| a | 17.6246 ± 0.0014 Å |
| b | 12.9407 ± 0.0011 Å |
| c | 20.1134 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4587.4 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P b c a |
| Hall symmetry space group | -P 2ac 2ab |
| Residual factor for all reflections | 0.1136 |
| Residual factor for observed reflections | 0.0837 |
| Weighted residual factors for the observed reflections | 0.203 |
| Weighted residual factors for all reflections included in the refinement | 0.2232 |
| Goodness-of-fit parameter for observed reflections | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |