Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 7101707
7101706 << 7101707 >> 7101708Preview
|
Coordinates |
7101707.cif |
Structure parameters
| Formula | - C23 H24.5 N2 O2.25 S - |
| Calculated formula | - C23 H24 N2 O2.25 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 | 24.932 ± 0.006 Å |
| b | 8.345 ± 0.003 Å |
| c | 10.856 ± 0.003 Å |
| α | 90° |
| β | 108.65 ± 0.02° |
| γ | 90° |
| Cell volume | 2140.3 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | C 1 2 1 |
| Hall symmetry space group | C 2y |
| Residual factor for all reflections | 0.0997 |
| Residual factor for observed reflections | 0.0425 |
| Weighted residual factors for the observed reflections | 0.0761 |
| Weighted residual factors for all reflections included in the refinement | 0.0955 |
| Goodness-of-fit parameter for observed reflections | 0.802 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |