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Information card for entry 7248428
Preview
Coordinates | 7248428.cif |
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Original paper (by DOI) | HTML |
Formula | C31 H26 N4 O2 |
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Calculated formula | C31 H26 N4 O2 |
SMILES | O=C(Nc1ccccc1)c1c(nc(OC)nc1C)c1nc(c2c(c3ccccc3)cccc2C)ccc1 |
Title of publication | LED-induced Ru-photoredox Pd-catalyzed C–H arylation of (6-phenylpyridin-2-yl)pyrimidines and heteroaryl counterparts |
Authors of publication | Antoniou, Ioakeim M.; Ioannou, Natalia; Panagiotou, Nikos; Georgiades, Savvas N. |
Journal of publication | RSC Advances |
Year of publication | 2024 |
Journal volume | 14 |
Journal issue | 17 |
Pages of publication | 12179 - 12191 |
a | 30.8184 ± 0.0004 Å |
b | 8.96166 ± 0.00012 Å |
c | 18.6116 ± 0.0002 Å |
α | 90° |
β | 94.5518 ± 0.0012° |
γ | 90° |
Cell volume | 5124.01 ± 0.11 Å3 |
Cell temperature | 179.98 ± 0.1 K |
Ambient diffraction temperature | 179.98 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0443 |
Residual factor for significantly intense reflections | 0.0373 |
Weighted residual factors for significantly intense reflections | 0.0982 |
Weighted residual factors for all reflections included in the refinement | 0.1017 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7248428.html
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Users of the data should acknowledge the original authors of the
structural data.