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Information card for entry 7153979
Preview
Coordinates | 7153979.cif |
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Original paper (by DOI) | HTML |
Chemical name | 2,6-Dimethyl-4-naphthalen-1-yl-pyridine |
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Formula | C17 H15 N |
Calculated formula | C17 H15 N |
SMILES | n1c(C)cc(cc1C)c1cccc2ccccc12 |
Title of publication | Iridium-catalyzed C-H borylation of pyridines. |
Authors of publication | Sadler, Scott A.; Tajuddin, Hazmi; Mkhalid, Ibraheem A. I.; Batsanov, Andrei S.; Albesa-Jove, David; Cheung, Man Sing; Maxwell, Aoife C.; Shukla, Lena; Roberts, Bryan; Blakemore, David C.; Lin, Zhenyang; Marder, Todd B.; Steel, Patrick G. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2014 |
Journal volume | 12 |
Journal issue | 37 |
Pages of publication | 7318 - 7327 |
a | 11.2252 ± 0.0016 Å |
b | 15.438 ± 0.002 Å |
c | 7.6917 ± 0.0012 Å |
α | 90° |
β | 107.874 ± 0.004° |
γ | 90° |
Cell volume | 1268.6 ± 0.3 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120.15 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0885 |
Residual factor for significantly intense reflections | 0.0452 |
Weighted residual factors for significantly intense reflections | 0.1063 |
Weighted residual factors for all reflections included in the refinement | 0.1215 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.905 |
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/7153979.html
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