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CIF Information Card
Information card for 7101649
7101648 << 7101649 >> 7101650Preview
|
Coordinates |
7101649.cif |
Structure parameters
| Formula | - C21.5 H21.5 Br Cl1.5 N2 O3 - |
| Calculated formula | - C21.5 H21.5 Br Cl1.5 N2 O3 - |
| Title of publication | The remarkable effect of the 7-substituent in the diastereoselective oxidative rearrangement of indoles: asymmetric synthesis of 3,3-disubstituted oxindoles. |
| Authors of publication | Lachia, Mathilde; Poriel, Cyril; Slawin, Alexandra M Z; Moody, Christopher J |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 3 |
| Pages of publication | 286 - 288 |
| a | 9.6437 ± 0.00019 Å |
| b | 12.4445 ± 0.0012 Å |
| c | 18.3737 ± 0.0017 Å |
| α | 90° |
| β | 102.099 ± 0.003° |
| γ | 90° |
| Cell volume | 2156.1 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P 1 21 1 |
| Hall symmetry space group | P 2yb |
| Residual factor for all reflections | 0.1471 |
| Residual factor for observed reflections | 0.0858 |
| Weighted residual factors for the observed reflections | 0.133 |
| Weighted residual factors for all reflections included in the refinement | 0.1574 |
| Goodness-of-fit parameter for observed reflections | 1.072 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |