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Information card for entry 4028552
Preview
Coordinates | 4028552.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H11 N5 |
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Calculated formula | C18 H11 N5 |
SMILES | C1(c2ccccc2)NC(C(N=1)=Nc1ccccc1)=C(C#N)C#N |
Title of publication | Reactions of Tetracyanoethylene with N'-Arylbenzamidines: A Route to 2-Phenyl-3H-imidazo[4,5-b]quinoline-9-carbonitriles |
Authors of publication | Styliana I. Mirallai; Maria Manoli; Panayiotis A. Koutentis |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 8655 - 8668 |
a | 23.5138 ± 0.0007 Å |
b | 13.2286 ± 0.0004 Å |
c | 9.4729 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2946.59 ± 0.16 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.0432 |
Residual factor for significantly intense reflections | 0.0359 |
Weighted residual factors for significantly intense reflections | 0.0934 |
Weighted residual factors for all reflections included in the refinement | 0.0977 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
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/4028552.html
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Users of the data should acknowledge the original authors of the
structural data.