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Information card for entry 4036648
Preview
Coordinates | 4036648.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H16 I N3 |
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Calculated formula | C17 H16 I N3 |
SMILES | I[C@H]([C@H](n1nc(c2ccccc2)cn1)c1ccccc1)C.I[C@@H]([C@@H](n1nc(c2ccccc2)cn1)c1ccccc1)C |
Title of publication | N(2)-Selective Iodofunctionalization of Olefins with NH-1,2,3-Triazoles to provide N(2)-Alkyl-Substituted 1,2,3-Triazoles. |
Authors of publication | Zhu, Li-Li; Xu, Xiao-Qi; Shi, Jin-Wei; Chen, Bai-Ling; Chen, Zili |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 9 |
Pages of publication | 3568 - 3575 |
a | 16.715 ± 0.004 Å |
b | 5.5827 ± 0.0012 Å |
c | 17.44 ± 0.004 Å |
α | 90° |
β | 97.706 ± 0.003° |
γ | 90° |
Cell volume | 1612.7 ± 0.6 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0578 |
Residual factor for significantly intense reflections | 0.0495 |
Weighted residual factors for significantly intense reflections | 0.1266 |
Weighted residual factors for all reflections included in the refinement | 0.1341 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
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/4036648.html
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