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Information card for entry 4515233
Preview
Coordinates | 4515233.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H24 Cl2 Co I2 N3 |
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Calculated formula | C19 H24 Cl2 Co I2 N3 |
SMILES | I[Co]1234(I)([n]5cn(c6ncccc6)cc5)[c]5([c]2([c]1([c]4([c]35C)C)C)C)C.ClCCl |
Title of publication | Leveraging Metallotropism-Enabled Substrate Activation in Cobalt-Catalyzed Annulation Chemistry: Protic NHC Template Is the Key |
Authors of publication | Dutta, Champak; Rana, Samim Sohel; Choudhury, Joyanta |
Journal of publication | ACS Catalysis |
Year of publication | 2019 |
Pages of publication | 10674 |
a | 15.637 ± 0.002 Å |
b | 8.3901 ± 0.0012 Å |
c | 17.491 ± 0.003 Å |
α | 90° |
β | 94.402 ± 0.007° |
γ | 90° |
Cell volume | 2288 ± 0.6 Å3 |
Cell temperature | 140 ± 2 K |
Ambient diffraction temperature | 140 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0517 |
Residual factor for significantly intense reflections | 0.0352 |
Weighted residual factors for significantly intense reflections | 0.1051 |
Weighted residual factors for all reflections included in the refinement | 0.1189 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.847 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4515233.html
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Users of the data should acknowledge the original authors of the
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