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Information card for entry 4037183
Preview
Coordinates | 4037183.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H17 N3 |
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Calculated formula | C23 H17 N3 |
SMILES | N1(N=C(c2ccccc2)CC(=C1c1ccccc1)C#N)c1ccccc1 |
Title of publication | One-Pot Synthesis of 2-Cyano-1,4-diketones: Applications to Synthesis of Cyanosubstituted Furans, Pyrroles, and Dihydropyridazines. |
Authors of publication | Chan, Chieh-Kai; Chan, Yi-Ling; Tsai, Yu-Lin; Chang, Meng-Yang |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 17 |
Pages of publication | 8112 - 8120 |
a | 9.9929 ± 0.0002 Å |
b | 13.6834 ± 0.0003 Å |
c | 14.2187 ± 0.0004 Å |
α | 91.33 ± 0.001° |
β | 101.921 ± 0.001° |
γ | 106.706 ± 0.001° |
Cell volume | 1814.91 ± 0.08 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0651 |
Residual factor for significantly intense reflections | 0.0411 |
Weighted residual factors for significantly intense reflections | 0.1204 |
Weighted residual factors for all reflections included in the refinement | 0.1484 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
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/4037183.html
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