Information card for entry 1548398

Structure parameters

• Formula: C32 H29 Cl N2 O4 S
• Calculated formula: C32 H29 Cl N2 O4 S
• Title of publication: Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones
• Authors of publication: Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou
• Journal of publication: Nature Communications
• Year of publication: 2017
• Journal volume: 8
• Pages of publication: 1619
• a: 33.9594 ± 0.0019 Å
• b: 8.3689 ± 0.0005 Å
• c: 19.1807 ± 0.0011 Å
• α: 90°
• β: 96.408 ± 0.002°
• γ: 90°
• Cell volume: 5417.2 ± 0.5 ų
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1466
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No