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Information card for entry 1555721
Preview
Coordinates | 1555721.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H19 N3 O |
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Calculated formula | C24 H19 N3 O |
SMILES | O(c1ccc(C#Cc2n(nnc2c2ccccc2)Cc2ccccc2)cc1)C |
Title of publication | Copper(I)-Catalyzed Three-Component Click/Alkynylation: One-Pot Synthesis of 5-Alkynyl-1,2,3-triazoles. |
Authors of publication | Wang, Weiguo; Wei, Fang; Ma, Yudao; Tung, Chen-Ho; Xu, Zhenghu |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 17 |
Pages of publication | 4158 - 4161 |
a | 9.973 ± 0.006 Å |
b | 10.372 ± 0.006 Å |
c | 19.048 ± 0.011 Å |
α | 104.203 ± 0.006° |
β | 90.641 ± 0.006° |
γ | 96.358 ± 0.005° |
Cell volume | 1896.8 ± 1.9 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1002 |
Residual factor for significantly intense reflections | 0.057 |
Weighted residual factors for significantly intense reflections | 0.1457 |
Weighted residual factors for all reflections included in the refinement | 0.1716 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.979 |
Diffraction radiation wavelength | 0.71 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1555721.html
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