Information card for entry 7118653

Structure parameters

• Chemical name: 20150112
• Formula: C18 H21 N O7 S
• Calculated formula: C18 H21 N O7 S
• SMILES: S1(=O)(=O)N2[C@H](CO1)c1c(cccc1[C@H]2CC(=O)OCC)/C=C/C(=O)OCC
• Title of publication: Stereoselective synthesis of 1,3-disubstituted isoindolines via Rh(iii)-catalyzed tandem oxidative olefination-cyclization of 4-aryl cyclic sulfamidates.
• Authors of publication: Son, Se-Mi; Seo, Yeon Ji; Lee, Hyeon-Kyu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 23
• Pages of publication: 4286 - 4289
• a: 6.6015 ± 0.0002 Å
• b: 16.8605 ± 0.0004 Å
• c: 17.1484 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1908.7 ± 0.09 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1579
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1734
• Weighted residual factors for all reflections included in the refinement: 0.2193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No