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CIF Information Card
Information card for 7151795
7151794 << 7151795 >> 7151796Preview
|
Coordinates |
7151795.cif |
Structure parameters
| Formula | - C75 H79 Cl8 F9 N6 O9 S3 - |
| Calculated formula | - C75 H79 Cl8 F9 N6 O9 S3 - |
| 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 | 13.531 ± 0.002 Å |
| b | 17.185 ± 0.002 Å |
| c | 19.511 ± 0.002 Å |
| α | 108.267 ± 0.013° |
| β | 106.724 ± 0.013° |
| γ | 101.091 ± 0.014° |
| Cell volume | 3921.8 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0942 |
| Residual factor for observed reflections | 0.0613 |
| Weighted residual factors for the observed reflections | 0.1666 |
| Weighted residual factors for all reflections included in the refinement | 0.1843 |
| Goodness-of-fit parameter for observed reflections | 0.987 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |