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Information card for entry 1555737
Preview
Coordinates | 1555737.cif |
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Original paper (by DOI) | HTML |
Formula | C17 H6 F17 I N2 O |
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Calculated formula | C17 H6 F17 I N2 O |
SMILES | c1(c(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)nc2c(cc(cc2)OC)n1)I |
Title of publication | Halogen-Bond-Promoted Double Radical Isocyanide Insertion under Visible-Light Irradiation: Synthesis of 2-Fluoroalkylated Quinoxalines. |
Authors of publication | Sun, Xiaoyang; Wang, Wenmin; Li, Yanle; Ma, Jing; Yu, Shouyun |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 18 |
Pages of publication | 4638 - 4641 |
a | 5.3794 ± 0.0012 Å |
b | 8.0586 ± 0.0017 Å |
c | 26.339 ± 0.006 Å |
α | 81.743 ± 0.004° |
β | 86.002 ± 0.004° |
γ | 76.923 ± 0.004° |
Cell volume | 1099.8 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0808 |
Residual factor for significantly intense reflections | 0.0708 |
Weighted residual factors for significantly intense reflections | 0.1927 |
Weighted residual factors for all reflections included in the refinement | 0.2095 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
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/1555737.html
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Users of the data should acknowledge the original authors of the
structural data.