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CIF Information Card
Information card for 7101773
7101772 << 7101773 >> 7101774Preview
|
Coordinates |
7101773.cif |
Structure parameters
| Formula | - C13 H7 F7 N4 O2 - |
| Calculated formula | - C13 H7 F7 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 | 7.2 ± 0.004 Å |
| b | 24.567 ± 0.011 Å |
| c | 8.844 ± 0.003 Å |
| α | 90° |
| β | 111.441 ± 0.019° |
| γ | 90° |
| Cell volume | 1456.1 ± 1.2 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for all reflections | 0.0822 |
| Residual factor for observed reflections | 0.0663 |
| Weighted residual factors for the observed reflections | 0.1768 |
| Weighted residual factors for all reflections included in the refinement | 0.187 |
| Goodness-of-fit parameter for observed reflections | 1.085 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |