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Information card for entry 7239931
Preview
Coordinates | 7239931.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H12 N4 |
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Calculated formula | C14 H12 N4 |
SMILES | N#C/C(=C(N)\Cc1ncccc1)c1ncccc1 |
Title of publication | Temperature controlled condensation of nitriles: efficient and convenient synthesis of β-enaminonitriles, 4-aminopyrimidines and 4-amidinopyrimidines in one system |
Authors of publication | Li, Yinghua; Zhu, Yingzu; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang |
Journal of publication | RSC Advances |
Year of publication | 2020 |
Journal volume | 10 |
Journal issue | 11 |
Pages of publication | 6576 - 6583 |
a | 4.4117 ± 0.0004 Å |
b | 11.8292 ± 0.0013 Å |
c | 12.0532 ± 0.0011 Å |
α | 97.48 ± 0.008° |
β | 97.624 ± 0.007° |
γ | 93.401 ± 0.008° |
Cell volume | 616.27 ± 0.11 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0783 |
Residual factor for significantly intense reflections | 0.0584 |
Weighted residual factors for significantly intense reflections | 0.1834 |
Weighted residual factors for all reflections included in the refinement | 0.1896 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.3 |
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/7239931.html
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