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CIF Information Card
Information card for 7101708
7101707 << 7101708 >> 7101709Preview
|
Coordinates |
7101708.cif |
Structure parameters
| Formula | - C22 H30 O3 S - |
| Calculated formula | - C22 H30 O3 S - |
| Title of publication | Achieving conformational control over C-C, C-N and C-O bonds in biaryls, N,N'-diarylureas and diaryl ethers: advantages of a relay axis. |
| Authors of publication | Betson, Mark S; Bracegirdle, Ann; Clayden, Jonathan; Helliwell, Madeleine; Lund, Andrew; Pickworth, Mark; Snape, Timothy J; Worrall, Christopher P |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 7 |
| Pages of publication | 754 - 756 |
| a | 8.3358 ± 0.0011 Å |
| b | 12.262 ± 0.0017 Å |
| c | 20.222 ± 0.003 Å |
| α | 90° |
| β | 98.368 ± 0.002° |
| γ | 90° |
| Cell volume | 2044.9 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.056 |
| Residual factor for observed reflections | 0.0496 |
| Weighted residual factors for the observed reflections | 0.143 |
| Weighted residual factors for all reflections included in the refinement | 0.1477 |
| Goodness-of-fit parameter for observed reflections | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |