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CIF Information Card
Information card for 7101771
7101770 << 7101771 >> 7101772Preview
|
Coordinates |
7101771.cif |
Structure parameters
| Formula | - C13 H11 F3 N4 O2 - |
| Calculated formula | - C13 H11 F3 N4 O2 - |
| Title of publication | Di-pyrrolyl-pyrazoles: anion receptors in protonated form and efficient building blocks for organized structures. |
| Authors of publication | Maeda, Hiromitsu; Ito, Yoshihiro; Kusunose, Yukio; Nakanishi, Takashi |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 11 |
| Pages of publication | 1136 - 1138 |
| a | 14.3569 ± 0.001 Å |
| b | 15.252 ± 0.0011 Å |
| c | 6.0571 ± 0.0004 Å |
| α | 90° |
| β | 91.18 ± 0.001° |
| γ | 90° |
| Cell volume | 1326.05 ± 0.16 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.0486 |
| Residual factor for observed reflections | 0.0411 |
| Weighted residual factors for the observed reflections | 0.1095 |
| Weighted residual factors for all reflections included in the refinement | 0.1228 |
| Goodness-of-fit parameter for observed reflections | 1.133 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |