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Information card for entry 1542597
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Coordinates | 1542597.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 24 |
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Formula | C23 H24 N2 O4 S2 |
Calculated formula | C23 H24 N2 O4 S2 |
SMILES | S(/C(=C/S(=O)(=O)c1ccc(cc1)C)C1C(=O)NC(=O)N(Cc2ccccc2)C=1)CCC |
Title of publication | Uracil Nucleosides with Reactive Group at C5 Position: 5-(1-Halo-2-sulfonylvinyl)uridine Analogues. |
Authors of publication | Liang, Yong; Suzol, Sazzad H.; Wen, Zhiwei; Artiles, Alain G.; Mathivathanan, Logesh; Raptis, Raphael G.; Wnuk, Stanislaw F. |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 6 |
Pages of publication | 1418 - 1421 |
a | 8.2793 ± 0.0012 Å |
b | 22.107 ± 0.004 Å |
c | 12.8092 ± 0.0019 Å |
α | 90° |
β | 105.304 ± 0.003° |
γ | 90° |
Cell volume | 2261.3 ± 0.6 Å3 |
Cell temperature | 292 ± 2 K |
Ambient diffraction temperature | 292 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1719 |
Residual factor for significantly intense reflections | 0.0759 |
Weighted residual factors for significantly intense reflections | 0.1066 |
Weighted residual factors for all reflections included in the refinement | 0.132 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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