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Information card for entry 4029009
Preview
Coordinates | 4029009.cif |
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Original paper (by DOI) | HTML |
Formula | C17 H17 N3 |
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Calculated formula | C17 H17 N3 |
SMILES | n1(nnc(c2ccccc2)c1)Cc1cc(cc(c1)C)C |
Title of publication | Copper Immobilized on Nanosilica Triazine Dendrimer (Cu(II)-TD@nSiO2)-Catalyzed Regioselective Synthesis of 1,4-Disubstituted 1,2,3-Triazoles and Bis- and Tris-Triazoles via a One-Pot Multicomponent Click Reaction. |
Authors of publication | Nasr-Esfahani, Mahboobeh; Mohammadpoor-Baltork, Iraj; Khosropour, Ahmad R.; Moghadam, Majid; Mirkhani, Valiollah; Tangestaninejad, Shahram; Amiri Rudbari, Hadi |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 3 |
Pages of publication | 1437 |
a | 5.6469 ± 0.0008 Å |
b | 9.0685 ± 0.0012 Å |
c | 14.814 ± 0.002 Å |
α | 104.534 ± 0.011° |
β | 98.37 ± 0.012° |
γ | 93.921 ± 0.012° |
Cell volume | 722.14 ± 0.18 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1116 |
Residual factor for significantly intense reflections | 0.0783 |
Weighted residual factors for significantly intense reflections | 0.1917 |
Weighted residual factors for all reflections included in the refinement | 0.2092 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
Diffraction radiation wavelength | 0.71073 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/4029009.html
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