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Information card for entry 7115985
Preview
Coordinates | 7115985.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H25 Br Cl N5 O6 S |
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Calculated formula | C27 H25 Br Cl N5 O6 S |
SMILES | Brc1ccc([C@@H]2[C@H]([C@@H]([C@H](C(=O)OC)N2S(=O)(=O)c2ccc(cc2)C)n2cnc3c(Cl)ncnc23)C(=O)OCC)cc1 |
Title of publication | A rapid and divergent access to chiral azacyclic nucleoside analogues via highly enantioselective 1,3-dipolar cycloaddition of beta-nucleobase substituted acrylates |
Authors of publication | Qi-Liang Yang; Ming-Sheng Xie; Chao Xia; Huan-Li Sun; Dan-Jie Zhang; Ke-Xin Huang; Zhen Guo; Gui-Rong Qu; Hai-Ming Guo |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 14809 |
a | 21.051 ± 0.004 Å |
b | 28.357 ± 0.006 Å |
c | 13.136 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7841 ± 3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 7 |
Space group number | 20 |
Hermann-Mauguin space group symbol | C 2 2 21 |
Hall space group symbol | C 2c 2 |
Residual factor for all reflections | 0.1032 |
Residual factor for significantly intense reflections | 0.0508 |
Weighted residual factors for significantly intense reflections | 0.0931 |
Weighted residual factors for all reflections included in the refinement | 0.1028 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
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/7115985.html
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