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Information card for entry 4121667
Preview
Coordinates | 4121667.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | RB1-339 |
---|---|
Formula | C13 H15 F O4 |
Calculated formula | C13 H15 F O4 |
SMILES | F[C@@]1([C@H](O)[C@H](OC1=O)COCc1ccccc1)C |
Title of publication | A General and Enantioselective Approach to Pentoses: A Rapid Synthesis of PSI-6130, the Nucleoside Core of Sofosbuvir. |
Authors of publication | Peifer, Manuel; Berger, Raphaëlle; Shurtleff, Valerie W.; Conrad, Jay C.; Macmillan, David W. C. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 16 |
Pages of publication | 5900 - 5903 |
a | 6.108 ± 0.007 Å |
b | 7.994 ± 0.008 Å |
c | 25.1 ± 0.03 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1226 ± 2 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0208 |
Residual factor for significantly intense reflections | 0.0206 |
Weighted residual factors for significantly intense reflections | 0.0536 |
Weighted residual factors for all reflections included in the refinement | 0.0538 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
Diffraction radiation wavelength | 1.54178 Å |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4121667.html
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Users of the data should acknowledge the original authors of the
structural data.