Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 7101772
7101771 << 7101772 >> 7101773Preview
|
Coordinates |
7101772.cif |
Structure parameters
| Formula | - C15 H15 F3 N4 O2 - |
| Calculated formula | - C15 H15 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 | 8.307 ± 0.005 Å |
| b | 9.278 ± 0.006 Å |
| c | 10.96 ± 0.008 Å |
| α | 85.9 ± 0.03° |
| β | 87.73 ± 0.03° |
| γ | 65.63 ± 0.02° |
| Cell volume | 767.5 ± 0.9 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0741 |
| Residual factor for observed reflections | 0.0624 |
| Weighted residual factors for the observed reflections | 0.1748 |
| Weighted residual factors for all reflections included in the refinement | 0.1866 |
| Goodness-of-fit parameter for observed reflections | 1.089 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |