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Information card for entry 4026515
Preview
Coordinates | 4026515.cif |
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Original paper (by DOI) | HTML |
Chemical name | 1β-[5-(Dimethylamino)pyridin-2-yl]-1-deoxy-D-ribofuranose |
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Formula | C12 H18 N2 O4 |
Calculated formula | C12 H18 N2 O4 |
SMILES | [C@@H]1([C@@H]([C@@H]([C@@H](CO)O1)O)O)c1ncc(cc1)N(C)C |
Title of publication | General and Modular Synthesis of Isomeric 5-Substituted Pyridin-2-yl and 6-Substituted Pyridin-3-yl C-Ribonucleosides Bearing Diverse Alkyl, Aryl, Hetaryl, Amino, Carbamoyl, and Hydroxy Groups |
Authors of publication | Martin Štefko; Lenka Slavětínská; Blanka Klepetářová; Michal Hocek |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 6619 - 6635 |
a | 4.99794 ± 0.00007 Å |
b | 10.75451 ± 0.00016 Å |
c | 11.3672 ± 0.00017 Å |
α | 90° |
β | 91.1917 ± 0.0013° |
γ | 90° |
Cell volume | 610.859 ± 0.015 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.03 |
Residual factor for significantly intense reflections | 0.0297 |
Weighted residual factors for all reflections | 0.0331 |
Weighted residual factors for significantly intense reflections | 0.0328 |
Weighted residual factors for all reflections included in the refinement | 0.0328 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0585 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4026515.html
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