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CIF Information Card
Information card for 7101709
7101708 << 7101709 >> 7101710Preview
|
Coordinates |
7101709.cif |
Structure parameters
| Formula | - C22 H29 N3 O2 - |
| Calculated formula | - C22 H29 N3 O2 - |
| 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 | 25.675 ± 0.003 Å |
| b | 39.811 ± 0.004 Å |
| c | 7.9886 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8165.5 ± 1.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | F d d 2 |
| Hall symmetry space group | F 2 -2d |
| Residual factor for all reflections | 0.0355 |
| Residual factor for observed reflections | 0.0298 |
| Weighted residual factors for the observed reflections | 0.0656 |
| Weighted residual factors for all reflections included in the refinement | 0.0672 |
| Goodness-of-fit parameter for observed reflections | 0.985 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |