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Information card for entry 4087993
Preview
Coordinates | 4087993.cif |
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Original paper (by DOI) | HTML |
Formula | C29 H24 Br O2 P |
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Calculated formula | C29 H24 Br O2 P |
SMILES | Brc1ccc(cc1)C(=O)C[C@@H](/C=C/c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 |
Title of publication | Asymmetric 1,4-Conjugate Addition of Diarylphosphines to α,β,γ,δ-Unsaturated Ketones Catalyzed by Transition-Metal Pincer Complexes |
Authors of publication | Yang, Xiang-Yuan; Tay, Wee Shan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 20 |
Pages of publication | 5196 |
a | 5.6283 ± 0.0003 Å |
b | 17.6395 ± 0.0011 Å |
c | 23.9438 ± 0.0016 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2377.1 ± 0.3 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.1141 |
Residual factor for significantly intense reflections | 0.0591 |
Weighted residual factors for significantly intense reflections | 0.1089 |
Weighted residual factors for all reflections included in the refinement | 0.1302 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.899 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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