Information card for entry 4033242

Structure parameters

• Formula: C18 H23 Cl F N O7 Si
• Calculated formula: C18 H23 Cl F N O7 Si
• SMILES: Cl[C@]1(F)C(=O)O[C@H](COC(=O)c2ccc(N(=O)=O)cc2)[C@H]1O[Si](C(C)(C)C)(C)C
• Title of publication: Synthesis of (2S)-2-Chloro-2-fluororibolactone via Stereoselective Electrophilic Fluorination.
• Authors of publication: De Schutter, Coralie; Sari, Ozkan; Coats, Steven J.; Amblard, Franck; Schinazi, Raymond F.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 24
• Pages of publication: 13171 - 13178
• a: 6.5977 ± 0.0007 Å
• b: 6.954 ± 0.0007 Å
• c: 13.0578 ± 0.0013 Å
• α: 82.254 ± 0.008°
• β: 84.013 ± 0.008°
• γ: 63.46 ± 0.01°
• Cell volume: 530.42 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No