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Information card for entry 4127881
Preview
Coordinates | 4127881.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H23 Cl N O Rh |
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Calculated formula | C18 H23 Cl N O Rh |
SMILES | [Rh]12345(Cl)([NH]=C(OC)c6c1cccc6)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C |
Title of publication | Flow Rhodaelectro-Catalyzed Alkyne Annulations by Versatile C-H Activation: Mechanistic Support for Rhodium(III/IV). |
Authors of publication | Kong, Wei-Jun; Finger, Lars H.; Messinis, Antonis M.; Kuniyil, Rositha; Oliveira, João C A; Ackermann, Lutz |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 43 |
Pages of publication | 17198 - 17206 |
a | 10.1827 ± 0.0005 Å |
b | 14.0724 ± 0.0009 Å |
c | 14.7798 ± 0.001 Å |
α | 62.265 ± 0.002° |
β | 71.938 ± 0.002° |
γ | 84.034 ± 0.002° |
Cell volume | 1780.12 ± 0.19 Å3 |
Cell temperature | 99.99 K |
Ambient diffraction temperature | 99.99 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0159 |
Residual factor for significantly intense reflections | 0.0156 |
Weighted residual factors for significantly intense reflections | 0.0427 |
Weighted residual factors for all reflections included in the refinement | 0.0429 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
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/4127881.html
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