Information card for entry 7118654

Structure parameters

• Chemical name: 20150429
• Formula: C17 H19 N O7 S
• Calculated formula: C17 H19 N O7 S
• SMILES: S1(=O)(=O)OC[C@@H]2N1[C@H](c1c2c(cc(c1)C)/C=C/C(=O)OC)CC(=O)OC
• 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: 6.2084 ± 0.0001 Å
• b: 13.742 ± 0.0002 Å
• c: 21.5303 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1836.88 ± 0.05 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 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: 0.1195
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No