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Information card for entry 4037280
Preview
Coordinates | 4037280.cif |
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Original paper (by DOI) | HTML |
Formula | C32 H27 N7 O2 |
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Calculated formula | C32 H27 N7 O2 |
SMILES | c1ccccc1c1c(c2c(c3ccccc3)nnn2c2ccc(cc2)OC)n(c2ccc(cc2)OC)nn1.C(#N)C |
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 | 10.074 ± 0.004 Å |
b | 12.014 ± 0.004 Å |
c | 13.149 ± 0.005 Å |
α | 63.293 ± 0.004° |
β | 83.12 ± 0.004° |
γ | 76.074 ± 0.004° |
Cell volume | 1379.7 ± 0.9 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 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 | 0.0417 |
Residual factor for significantly intense reflections | 0.0386 |
Weighted residual factors for significantly intense reflections | 0.0952 |
Weighted residual factors for all reflections included in the refinement | 0.0979 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
235888 (current) | 2019-11-24 | cif/ Adding structures of 4037274, 4037275, 4037276, 4037277, 4037278, 4037279, 4037280, 4037281, 4037282, 4037283 via cif-deposit CGI script. |
4037280.cif |
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Users of the data should acknowledge the original authors of the
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