Information card for entry 7120846

Structure parameters

• Formula: C30 H34 N2 O6
• Calculated formula: C30 H34 N2 O6
• Title of publication: Solvent-free iodine-promoted synthesis of 3,2′-pyrrolinyl spirooxindoles from alkylidene oxindoles and enamino esters under ball-milling conditions
• Authors of publication: Xu, Hui; Liu, Hong-Wei; Lin, Hao-Sheng; Wang, Guan-Wu
• Journal of publication: Chemical Communications
• Year of publication: 2017
• a: 11.1373 ± 0.0001 Å
• b: 24.0612 ± 0.0002 Å
• c: 11.2256 ± 0.0001 Å
• α: 90°
• β: 112.945 ± 0.001°
• γ: 90°
• Cell volume: 2770.19 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No