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Information card for entry 4032179
Preview
Coordinates | 4032179.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H19 N3 O |
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Calculated formula | C22 H19 N3 O |
SMILES | c1c(c2c(cccc2)[nH]1)CCN(C(=O)c1ccccn1)c1ccccc1 |
Title of publication | Copper Catalyzed C-N Cross-Coupling Reaction of Aryl Boronic Acids at Room Temperature through Chelation Assistance. |
Authors of publication | Sahoo, Harekrishna; Mukherjee, Sayan; Grandhi, Gowri Sankar; Selvakumar, Jayaraman; Baidya, Mahiuddin |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 5 |
Pages of publication | 2764 - 2771 |
a | 9.4346 ± 0.0002 Å |
b | 13.9909 ± 0.0004 Å |
c | 14.0519 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1854.83 ± 0.08 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0382 |
Residual factor for significantly intense reflections | 0.0294 |
Weighted residual factors for significantly intense reflections | 0.0649 |
Weighted residual factors for all reflections included in the refinement | 0.0691 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
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/4032179.html
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