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Information card for entry 4121668
Preview
Coordinates | 4121668.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H20 O4 |
---|---|
Calculated formula | C15 H20 O4 |
SMILES | C=CC[C@H]1[C@@H]([C@@H](COCc2ccccc2)O[C@@H]1O)O |
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 | 4.7285 ± 0.0002 Å |
b | 10.6501 ± 0.0004 Å |
c | 27.8949 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1404.76 ± 0.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0342 |
Residual factor for significantly intense reflections | 0.0334 |
Weighted residual factors for significantly intense reflections | 0.0841 |
Weighted residual factors for all reflections included in the refinement | 0.0845 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4121668.html
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