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CIF Information Card
Information card for 7101871
7101870 << 7101871 >> 7101872Preview
|
Coordinates |
7101871.cif |
Structure parameters
| Formula | - C29 H34 Cl N5 O2 - |
| Calculated formula | - C29 H34 Cl N5 O2 - |
| Title of publication | Conformational control of HCl co-transporter: imidazole functionalised isophthalamide vs. 2,6-dicarboxamidopyridine. |
| Authors of publication | Gale, Philip A; Garric, Joachim; Light, Mark E; McNally, Beth A; Smith, Bradley D |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 17 |
| Pages of publication | 1736 - 1738 |
| a | 7.3811 ± 0.0003 Å |
| b | 12.132 ± 0.0004 Å |
| c | 17.4317 ± 0.0007 Å |
| α | 76 ± 0.002° |
| β | 85.986 ± 0.002° |
| γ | 85.254 ± 0.002° |
| Cell volume | 1507.39 ± 0.1 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0862 |
| Residual factor for observed reflections | 0.068 |
| Weighted residual factors for the observed reflections | 0.157 |
| Weighted residual factors for all reflections included in the refinement | 0.1678 |
| Goodness-of-fit parameter for observed reflections | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |