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Information card for entry 7117564
Preview
Coordinates | 7117564.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H21 Cl N4 O6 |
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Calculated formula | C19 H21 Cl N4 O6 |
SMILES | Clc1c2c(ncn1)n(cn2)[C@@]1(CC(C[C@@H]1C=C)(C(=O)OC)C(=O)OC)C(=O)OCC |
Title of publication | A straightforward entry to chiral carbocyclic nucleoside analogues via the enantioselective [3+2] cycloaddition of α-nucleobase substituted acrylates. |
Authors of publication | Xie, Ming-Sheng; Wang, Yong; Li, Jian-Ping; Du, Cong; Zhang, Yan-Yan; Hao, Er-Jun; Zhang, Yi-Ming; Qu, Gui-Rong; Guo, Hai-Ming |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2015 |
Journal volume | 51 |
Journal issue | 62 |
Pages of publication | 12451 - 12454 |
a | 9.96 ± 0.002 Å |
b | 8.9114 ± 0.0018 Å |
c | 12.427 ± 0.003 Å |
α | 90° |
β | 105.91 ± 0.03° |
γ | 90° |
Cell volume | 1060.7 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0488 |
Residual factor for significantly intense reflections | 0.0366 |
Weighted residual factors for significantly intense reflections | 0.0829 |
Weighted residual factors for all reflections included in the refinement | 0.0907 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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