Information card for entry 7156930

Structure parameters

• Formula: C33 H33 N5 O7 S
• Calculated formula: C33 H33 N5 O7 S
• Title of publication: Regio- and stereoselective [3 + 2] cycloaddition reaction: access to isoxazole-dispirobisoxindoles featuring three contiguous stereocenters.
• Authors of publication: Chen, Shuang; Wang, Guan-Lian; Xu, Sheng-Wen; Tian, Min-Yi; Zhang, Min; Liu, Xiong-Li; Yuan, Wei-Cheng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 27
• Pages of publication: 6551 - 6556
• a: 11.1703 ± 0.0002 Å
• b: 15.8824 ± 0.0003 Å
• c: 18.1124 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3213.34 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0386
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No