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Information card for entry 7151113
Preview
Coordinates | 7151113.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Common name | 3-(4-(4-Methoxyphenyl)-1H-1,2,3-triazol-1-yl)-1-(2,3,5-tri-O- acetyl-beta-D-ribofuranosyl)-1,2,4-triazole-5-carboxylic acid methyl ester |
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Chemical name | 3-[4-(4-Methoxyphenyl)-1H-1,2,3-triazol-1-yl]-1-(2,3,5-tri-O-acetyl-beta- D-ribofuranosyl)-1,2,4-triazole-5-carboxylic acid methyl ester |
Formula | C24 H26 N6 O10 |
Calculated formula | C24 H26 N6 O10 |
SMILES | O1[C@H](n2nc(nc2C(=O)OC)n2nnc(c2)c2ccc(OC)cc2)[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1COC(=O)C |
Title of publication | Synthesis of bitriazolyl nucleosides and unexpectedly different reactivity of azidotriazole nucleoside isomers in the Huisgen reaction. |
Authors of publication | Xia, Yi; Li, Wei; Qu, Fanqi; Fan, Zhijin; Liu, Xiufeng; Berro, Charles; Rauzy, Evelyne; Peng, Ling |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2007 |
Journal volume | 5 |
Journal issue | 11 |
Pages of publication | 1695 - 1701 |
a | 7.5396 ± 0.0001 Å |
b | 7.9351 ± 0.0002 Å |
c | 43.1982 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2584.44 ± 0.08 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0859 |
Residual factor for significantly intense reflections | 0.0613 |
Weighted residual factors for significantly intense reflections | 0.1449 |
Weighted residual factors for all reflections included in the refinement | 0.1791 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.317 |
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/7151113.html
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