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CIF Information Card
Information card for 7101702
7101701 << 7101702 >> 7101703Preview
|
Coordinates |
7101702.cif |
Structure parameters
| Common name | ((1-(2-Benzyloxy-phenyl)-2-nitro-ethyl)-diphenyl-phosphine)- borane complex |
| Formula | - C27 H27 B N O3 P - |
| Calculated formula | - C27 H27 B N O3 P - |
| Title of publication | Organocatalytic asymmetric hydrophosphination of nitroalkenes. |
| Authors of publication | Bartoli, Giuseppe; Bosco, Marcella; Carlone, Armando; Locatelli, Manuela; Mazzanti, Andrea; Sambri, Letizia; Melchiorre, Paolo |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 7 |
| Pages of publication | 722 - 724 |
| a | 9.7738 ± 0.0012 Å |
| b | 13.1358 ± 0.0016 Å |
| c | 9.8656 ± 0.0012 Å |
| α | 90° |
| β | 109.146 ± 0.002° |
| γ | 90° |
| Cell volume | 1196.5 ± 0.3 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 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 | 0.0275 |
| Residual factor for observed reflections | 0.0271 |
| Weighted residual factors for the observed reflections | 0.0775 |
| Weighted residual factors for all reflections included in the refinement | 0.0779 |
| Goodness-of-fit parameter for observed reflections | 1.418 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |