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Information card for entry 1547165
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1547165.cif |
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Original paper (by DOI) | HTML |
Formula | C25 H19.5 F3 N2 O1.25 |
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Calculated formula | C25 H19.5 F3 N2 O1.25 |
SMILES | FC(F)(F)C1(Oc2n(C=N1)c1c(c2c2ccccc2)cccc1)c1ccc(cc1)C.O(CC)CC |
Title of publication | Chemoselective Double Annulation of Two Different Isocyanides: Rapid Access to Trifluoromethylated Indole-Fused Heterocycles. |
Authors of publication | Gao, Yuelei; Hu, Zhongyan; Dong, Jinhuan; Liu, Jun; Xu, Xianxiu |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 19 |
Pages of publication | 5292 - 5295 |
a | 10.3304 ± 0.0012 Å |
b | 17.89 ± 0.002 Å |
c | 23.784 ± 0.003 Å |
α | 96.034 ± 0.005° |
β | 99.172 ± 0.005° |
γ | 99.186 ± 0.005° |
Cell volume | 4245.1 ± 0.9 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1776 |
Residual factor for significantly intense reflections | 0.0729 |
Weighted residual factors for significantly intense reflections | 0.1636 |
Weighted residual factors for all reflections included in the refinement | 0.2102 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1547165.html
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Users of the data should acknowledge the original authors of the
structural data.