Information card for entry 1512189

Structure parameters

• Formula: C18 H13 F4 N O4 S
• Calculated formula: C18 H13 F4 N O4 S
• SMILES: S1(=O)(=O)N([C@](c2c(F)c(F)c(F)c(F)c12)(C(=O)OC)c1ccccc1)CC=C
• Title of publication: Memory of Chirality Approach to the Enantiodivergent Synthesis of Chiral Benzo[d]sultams
• Authors of publication: Foschi, Francesca; Tagliabue, Aaron; Mihali, Voichita; Pilati, Tullio; Pecnikaj, Ilir; Penso, Michele
• Journal of publication: Organic Letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 14
• Pages of publication: 3686
• a: 9.829 ± 0.0012 Å
• b: 19.271 ± 0.002 Å
• c: 10.0453 ± 0.0012 Å
• α: 90°
• β: 106.62 ± 0.012°
• γ: 90°
• Cell volume: 1823.2 ± 0.4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No