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Information card for entry 4086433
Preview
Coordinates | 4086433.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24.5 H28 Cl2 N Rh |
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Calculated formula | C24.5 H28 Cl2 N Rh |
SMILES | [Rh]12345(Cl)([N](=C(c6c5cccc6)C)c5ccccc5)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C.ClCCl |
Title of publication | Rhodium-Catalyzed Cyclocarbonylation of Ketimines via C‒H Bond Activation |
Authors of publication | Gao, Bao; Liu, Song; Lan, Yu; Huang, Hanmin |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 10 |
Pages of publication | 1480 |
a | 16.1039 ± 0.0011 Å |
b | 15.3204 ± 0.001 Å |
c | 20.3446 ± 0.0014 Å |
α | 90° |
β | 110.539 ± 0.001° |
γ | 90° |
Cell volume | 4700.3 ± 0.6 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.073 |
Residual factor for significantly intense reflections | 0.0617 |
Weighted residual factors for significantly intense reflections | 0.2428 |
Weighted residual factors for all reflections included in the refinement | 0.2629 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4086433.html
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