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Information card for entry 2019929
Preview
Coordinates | 2019929.cif |
---|---|
Structure factors | 2019929.hkl |
Original IUCr paper | HTML |
Chemical name | 2'-<i>O</i>-[1-(2-Fluorophenyl)-4-methoxypiperidin-4-yl]‒β-<i>D</i>-(1'<i>R</i>,2'<i>R</i>,3'<i>R</i>,4'<i>R</i>)-uridine |
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Formula | C21 H26 F N3 O7 |
Calculated formula | C21 H26 F N3 O7 |
SMILES | O1[C@H]([C@@H]([C@@H]([C@H]1CO)O)OC1(CCN(CC1)c1c(cccc1)F)OC)N1C(=O)NC(=O)C=C1 |
Title of publication | The first structurally analysed nucleic acid building block containing the Reese protecting group: 2'-<i>O</i>-[1-(2-fluorophenyl)-4-methoxypiperidin-4-yl]-β-<small>D</small>-(1'<i>R</i>,2'<i>R</i>,3'<i>R</i>,4'<i>R</i>)-uridine |
Authors of publication | Kruszynski, Rafal; Czestkowski, Wojciech |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2015 |
Journal volume | 71 |
Journal issue | 5 |
Pages of publication | 402 - 406 |
a | 10.5197 ± 0.0005 Å |
b | 6.7783 ± 0.0004 Å |
c | 15.039 ± 0.0007 Å |
α | 90° |
β | 103.807 ± 0.004° |
γ | 90° |
Cell volume | 1041.38 ± 0.09 Å3 |
Cell temperature | 290 ± 1 K |
Ambient diffraction temperature | 290 ± 1 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 | 0.0284 |
Residual factor for significantly intense reflections | 0.0281 |
Weighted residual factors for significantly intense reflections | 0.0706 |
Weighted residual factors for all reflections included in the refinement | 0.0708 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2019929.html
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Users of the data should acknowledge the original authors of the
structural data.