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CIF Information Card
Information card for 7101662
7101661 << 7101662 >> 7101663Preview
|
Coordinates |
7101662.cif |
Structure parameters
| Common name | Not named |
| Formula | - C34 H53 Cl F2 N4 O10 P2 - |
| Calculated formula | - C34 H53 Cl F2 N4 O10 P2 - |
| Title of publication | Development of a pharmaceutical cocrystal of a monophosphate salt with phosphoric acid. |
| Authors of publication | Chen, Alex M; Ellison, Martha E; Peresypkin, Andrey; Wenslow, Robert M; Variankaval, Narayan; Savarin, Cecile G; Natishan, Theresa K; Mathre, David J; Dormer, Peter G; Euler, Danielle H; Ball, Richard G; Ye, Zhixiong; Wang, Yaling; Santos, Ivan |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 4 |
| Pages of publication | 419 - 421 |
| a | 8.901 ± 0.005 Å |
| b | 10.995 ± 0.006 Å |
| c | 21.876 ± 0.012 Å |
| α | 90° |
| β | 100.157 ± 0.009° |
| γ | 90° |
| Cell volume | 2107.3 ± 1.9 Å3 |
| Cell temperature | 298 K |
| Number of distinct elements | 7 |
| Hermann-Mauguin symmetry space group | P 1 21 1 |
| Hall symmetry space group | P 2yb |
| Residual factor for observed reflections | 0.098 |
| Weighted residual factors for the observed reflections | 0.224 |
| Weighted residual factors for all reflections included in the refinement | 0.238 |
| Goodness-of-fit parameter for observed reflections | 1.182 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |