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Information card for entry 4105786
Preview
Coordinates | 4105786.cif |
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Original paper (by DOI) | HTML |
Formula | C29 H36 N2 O8 Rh2 |
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Calculated formula | C29 H36 N2 O8 Rh2 |
SMILES | [Rh]1234[Rh]([O]=C(O1)C)(OC(=[O]2)C)([O]=C(O3)C)(OC(=[O]4)C)=C1N(C=CN1c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C |
Title of publication | Rh(NHC)-Catalyzed Direct and Selective Arylation of Quinolines at the 8-Position |
Authors of publication | Kwak, Jaesung; Kim, Min; Chang, Sukbok |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Journal issue | 11 |
Pages of publication | 3780 - 3783 |
a | 8.3414 ± 0.0002 Å |
b | 16.7694 ± 0.0004 Å |
c | 21.3895 ± 0.0005 Å |
α | 94.67 ± 0.001° |
β | 91.852 ± 0.001° |
γ | 103.881 ± 0.001° |
Cell volume | 2890.79 ± 0.12 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0787 |
Residual factor for significantly intense reflections | 0.0511 |
Weighted residual factors for significantly intense reflections | 0.1189 |
Weighted residual factors for all reflections included in the refinement | 0.1376 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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