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Information card for entry 4026514
Preview
Coordinates | 4026514.cif |
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Original paper (by DOI) | HTML |
Chemical name | 1β-(5-Methylpyridin-2-yl)-1-deoxy-D-ribofuranose |
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Formula | C11 H15 N O4 |
Calculated formula | C11 H15 N O4 |
SMILES | [C@@H]1([C@@H]([C@@H]([C@@H](CO)O1)O)O)c1ncc(cc1)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 | 5.03627 ± 0.00013 Å |
b | 10.7538 ± 0.0003 Å |
c | 10.169 ± 0.0003 Å |
α | 90° |
β | 97.824 ± 0.002° |
γ | 90° |
Cell volume | 545.62 ± 0.03 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 | 0.0413 |
Residual factor for significantly intense reflections | 0.0395 |
Weighted residual factors for all reflections | 0.0509 |
Weighted residual factors for significantly intense reflections | 0.0475 |
Weighted residual factors for all reflections included in the refinement | 0.0475 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
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/4026514.html
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