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Information card for entry 1555844
Preview
Coordinates | 1555844.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H22 N2 |
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Calculated formula | C21 H22 N2 |
SMILES | n1cc(c(N2CCCCC2)c2cc(ccc12)C)c1ccccc1 |
Title of publication | Amine-Mediated Transimination and Aromatization-Triggered Domino Reaction in the Synthesis of Polyfunctionalized 4-Aminoquinolines. |
Authors of publication | Song, Runzhe; Han, Zhaomeng; He, Qiuqin; Fan, Renhua |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 20 |
Pages of publication | 5328 - 5331 |
a | 8.8501 ± 0.001 Å |
b | 9.6086 ± 0.0011 Å |
c | 10.7805 ± 0.0012 Å |
α | 74.645 ± 0.002° |
β | 86.219 ± 0.002° |
γ | 69.215 ± 0.001° |
Cell volume | 826.09 ± 0.16 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0574 |
Residual factor for significantly intense reflections | 0.0473 |
Weighted residual factors for significantly intense reflections | 0.1443 |
Weighted residual factors for all reflections included in the refinement | 0.1716 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
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/1555844.html
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Users of the data should acknowledge the original authors of the
structural data.