Information card for entry 7156694

Structure parameters

• Formula: C10.5 H10 N O3.5
• Calculated formula: C10.5 H10 N O3.5
• Title of publication: Thiosquaramide-catalysed asymmetric double Michael addition of 2-(3H)-furanones to nitroolefines.
• Authors of publication: Yang, Mengchen; Chen, Chen; Yi, Xing; Li, Yuan; Wu, Xiaoqin; Li, Qingshan; Ban, Shurong
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 11
• Pages of publication: 2883 - 2886
• a: 6.5334 ± 0.0007 Å
• b: 16.5353 ± 0.0019 Å
• c: 9.6045 ± 0.0011 Å
• α: 90°
• β: 99.396 ± 0.004°
• γ: 90°
• Cell volume: 1023.7 ± 0.2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297.05 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1825
• Weighted residual factors for all reflections included in the refinement: 0.1842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No