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CIF Information Card
Information card for 1100689
1100688 << 1100689 >> 1100690Preview
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Coordinates |
1100689.cif |
Structure parameters
| Chemical name | Crystal structure and Synthesis of beta-(p-Fluorobenzoyloxy)-4,16-pregnadiene- 6,20-dione |
| Formula | - C28 H31 F O4 - |
| Calculated formula | - C28 H31 F O4 - |
| Title of publication | Crystal structure and Synthesis of beta-(p-Fluorobenzoyloxy)-4,16-pregnadiene- 6,20-dione |
| Authors of publication | Soriano-Garcia, Manuel; Valencia, Norma; Flores, Eugenio; Bratoeff, Eugene; Ramirez, Elena; Cabeza, Marisa |
| Journal of publication | Analytical Sciences |
| Year of publication | 2003 |
| Journal volume | 19 |
| Pages of publication | x79 - x80 |
| a | 12.4629 ± 0.001 Å |
| b | 6.1705 ± 0.0005 Å |
| c | 15.5815 ± 0.0013 Å |
| α | 90° |
| β | 102.243 ± 0.002° |
| γ | 90° |
| Cell volume | 1171 ± 0.17 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21 1 |
| Hall symmetry space group | P 2yb |
| Residual factor for all reflections | 0.0812 |
| Residual factor for observed reflections | 0.0476 |
| Weighted residual factors for the observed reflections | 0.0794 |
| Weighted residual factors for all reflections included in the refinement | 0.0868 |
| Goodness-of-fit parameter for observed reflections | 0.911 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |