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Information card for entry 1502157
Preview
Coordinates | 1502157.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H16 I N |
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Calculated formula | C22 H16 I N |
SMILES | c1(c(c2ccccc2nc1c1ccc(cc1)C)c1ccccc1)I |
Title of publication | Electrophile-driven regioselective synthesis of functionalized quinolines. |
Authors of publication | Ali, Shaukat; Zhu, Hai-Tao; Xia, Xiao-Feng; Ji, Ke-Gong; Yang, Yan-Fang; Song, Xian-Rong; Liang, Yong-Min |
Journal of publication | Organic letters |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 10 |
Pages of publication | 2598 - 2601 |
a | 5.768 ± 0.002 Å |
b | 16.473 ± 0.006 Å |
c | 18.703 ± 0.007 Å |
α | 90° |
β | 92.573 ± 0.004° |
γ | 90° |
Cell volume | 1775.3 ± 1.1 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0704 |
Residual factor for significantly intense reflections | 0.0411 |
Weighted residual factors for significantly intense reflections | 0.066 |
Weighted residual factors for all reflections included in the refinement | 0.0744 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
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/1502157.html
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