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Information card for entry 4037277
Preview
Coordinates | 4037277.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H22 N6 |
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Calculated formula | C22 H22 N6 |
SMILES | c1ccccc1c1c2c3c(c4ccccc4)nnn3CCCCCCn2nn1 |
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 | 22.087 ± 0.013 Å |
b | 10.022 ± 0.006 Å |
c | 8.828 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1954 ± 2 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 3 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0395 |
Residual factor for significantly intense reflections | 0.0318 |
Weighted residual factors for significantly intense reflections | 0.0676 |
Weighted residual factors for all reflections included in the refinement | 0.071 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
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/4037277.html
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