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CIF Information Card
Information card for 1100651
1100650 << 1100651 >> 1100652Preview
|
Coordinates |
1100651.cif |
Structure parameters
| Formula | - C9 H6 F4 N2 - |
| Calculated formula | - C9 H6 F4 N2 - |
| Title of publication | Crystal Structure of 4-N,N-Dimethylamino-2,3,5,6-tetrafluorobenzonitrile |
| Authors of publication | Ryoichi, Nakagaki; Shigeru, Kohtani; Yuko, Nakamura; Michiyo, Okamura; Soh-ichi, Kitoh; Ko-Ki, Kunimoto |
| Journal of publication | Analytical Sciences |
| Year of publication | 2003 |
| Journal volume | 19 |
| Pages of publication | x5 - x6 |
| a | 4.373 ± 0.002 Å |
| b | 10.654 ± 0.006 Å |
| c | 20.05 ± 0.01 Å |
| α | 90° |
| β | 92.92 ± 0.02° |
| γ | 90° |
| Cell volume | 933.2 ± 0.9 Å3 |
| Cell temperature | 116 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 | 0.0726 |
| Weighted residual factors for all reflections included in the refinement | 0.089 |
| Goodness-of-fit parameter for observed reflections | 1.631 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |