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Information card for entry 4037283
Preview
Coordinates | 4037283.cif |
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Original paper (by DOI) | HTML |
Formula | C34 H30 Cl2 N6 |
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Calculated formula | C34 H30 Cl2 N6 |
SMILES | CC(C)c1ccc(cc1)n1nnc(c1c1n(c2ccc(C(C)C)cc2)nnc1c1ccc(cc1)Cl)c1ccc(cc1)Cl |
Title of publication | Cu(II)-Catalyzed Oxidative Formation of 5,5'-Bistriazoles. |
Authors of publication | Brassard, Christopher J.; Zhang, Xiaoguang; Brewer, Christopher R.; Liu, Peiye; Clark, Ronald J.; Zhu, Lei |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 24 |
Pages of publication | 12091 - 12105 |
a | 14.415 ± 0.004 Å |
b | 16.688 ± 0.005 Å |
c | 12.739 ± 0.004 Å |
α | 90° |
β | 97.053 ± 0.006° |
γ | 90° |
Cell volume | 3041.3 ± 1.6 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0631 |
Residual factor for significantly intense reflections | 0.0447 |
Weighted residual factors for significantly intense reflections | 0.0792 |
Weighted residual factors for all reflections included in the refinement | 0.0827 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.769 |
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/4037283.html
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