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Information card for entry 1553608
Preview
Coordinates | 1553608.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C H F N O |
---|---|
Calculated formula | C10.4 H12.4 F0.8 N0.4 O1.2 |
Title of publication | Synthesis of fully-substituted 1,2,3-triazoles via copper(i)-catalyzed three-component coupling of sulfoximines, alkynes and azides |
Authors of publication | Xu, Jian; Song, Qiuling |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2017 |
Journal volume | 4 |
Journal issue | 6 |
Pages of publication | 938 |
a | 9.4574 ± 0.0007 Å |
b | 9.9936 ± 0.0009 Å |
c | 14.0156 ± 0.0013 Å |
α | 89.023 ± 0.007° |
β | 76.071 ± 0.007° |
γ | 71.074 ± 0.008° |
Cell volume | 1213.5 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0814 |
Residual factor for significantly intense reflections | 0.0532 |
Weighted residual factors for significantly intense reflections | 0.1352 |
Weighted residual factors for all reflections included in the refinement | 0.156 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1553608.html
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