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Information card for entry 4032401
Preview
Coordinates | 4032401.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H16 N2 O3 |
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Calculated formula | C10 H16 N2 O3 |
SMILES | O[C@H]1[C@@H](C[C@@H]([C@H]1O)CO)c1cn(nc1)C.O[C@@H]1[C@H](C[C@H]([C@@H]1O)CO)c1cn(nc1)C |
Title of publication | Diastereoselective Flexible Synthesis of Carbocyclic C-Nucleosides. |
Authors of publication | Maier, Lukáš; Khirsariya, Prashant; Hylse, Ondřej; Adla, Santosh Kumar; Černová, Lenka; Poljak, Michal; Krajčovičová, Soňa; Weis, Erik; Drápela, Stanislav; Souček, Karel; Paruch, Kamil |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 7 |
Pages of publication | 3382 - 3402 |
a | 7.2069 ± 0.0004 Å |
b | 7.742 ± 0.0003 Å |
c | 9.5826 ± 0.0004 Å |
α | 80.466 ± 0.004° |
β | 79.403 ± 0.004° |
γ | 77.127 ± 0.004° |
Cell volume | 507.99 ± 0.04 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0455 |
Residual factor for significantly intense reflections | 0.0409 |
Weighted residual factors for significantly intense reflections | 0.0995 |
Weighted residual factors for all reflections included in the refinement | 0.1027 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MolybdenumKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4032401.html
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Users of the data should acknowledge the original authors of the
structural data.