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CIF Information Card
Information card for 7101774
7101773 << 7101774 >> 7101775Preview
|
Coordinates |
7101774.cif |
Structure parameters
| Formula | - C13 H14 N4 - |
| Calculated formula | - C13 H14 N4 - |
| 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 | 16.129 ± 0.005 Å |
| b | 16.45 ± 0.004 Å |
| c | 36.383 ± 0.009 Å |
| α | 90° |
| β | 90.023 ± 0.01° |
| γ | 90° |
| Cell volume | 9653 ± 4 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin symmetry space group | C 1 2/c 1 |
| Hall symmetry space group | -C 2yc |
| Residual factor for all reflections | 0.1524 |
| Residual factor for observed reflections | 0.087 |
| Weighted residual factors for the observed reflections | 0.203 |
| Weighted residual factors for all reflections included in the refinement | 0.2387 |
| Goodness-of-fit parameter for observed reflections | 1.022 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |