Information card for entry 1512151

Structure parameters

• Formula: C18 H15 F4 N O4 S
• Calculated formula: C18 H15 F4 N O4 S
• SMILES: S1(=O)(=O)N([C@](c2c(F)c(F)c(F)c(F)c12)(C(=O)OC)c1ccccc1)CCC
• 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: 12.2496 ± 0.0009 Å
• b: 12.2496 ± 0.0009 Å
• c: 10.3796 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1348.8 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No