Information card for entry 4035938

Structure parameters

• Chemical name: (3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyl-3-((triisopropylsilyl)ethynyl)dihydro-furan-2(3H)-one
• Formula: C17 H30 O4 Si
• Calculated formula: C17 H30 O4 Si
• SMILES: C1(=O)[C@@]([C@@H]([C@@H](CO)O1)O)(C#C[Si](C(C)C)(C(C)C)C(C)C)C
• Title of publication: Highly Diastereoselective Synthesis of a HCV NS5B Nucleoside Polymerase Inhibitor.
• Authors of publication: Zhong, Yong-Li; Cleator, Ed; Liu, Zhijian; Yin, Jianguo; Morris, William J.; Alam, Mahbub; Bishop, Brian; Dumas, Aaron M.; Edwards, John; Goodyear, Adrian; Mullens, Peter; Song, Zhiguo Jake; Shevlin, Michael; Thaisrivongs, David A.; Li, Hongming; Sherer, Edward C.; Cohen, Ryan D.; Yin, Jingjun; Tan, Lushi; Yasuda, Nobuyoshi; Limanto, John; Davies, Antony; Campos, Kevin R.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 8
• Pages of publication: 4780 - 4795
• a: 8.846 ± 0.0006 Å
• b: 10.5118 ± 0.0007 Å
• c: 20.6078 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1916.3 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0212
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No