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CIF Information Card
Information card for 7101652
7101651 << 7101652 >> 7101653Preview
|
Coordinates |
7101652.cif |
Structure parameters
| Formula | - C16 H19 Br N2 O3 - |
| Calculated formula | - C16 H19 Br 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 | 8.5669 ± 0.0014 Å |
| b | 12.7503 ± 0.0016 Å |
| c | 14.9 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1627.6 ± 0.4 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 21 21 21 |
| Hall symmetry space group | P 2ac 2ab |
| Residual factor for all reflections | 0.023 |
| Residual factor for observed reflections | 0.0206 |
| Weighted residual factors for the observed reflections | 0.0468 |
| Weighted residual factors for all reflections included in the refinement | 0.0479 |
| Goodness-of-fit parameter for observed reflections | 0.776 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |