Information card for entry 7218266

Structure parameters

• Formula: C21.25 H19.5 Cl1.5 N2 O5
• Calculated formula: C21.25 H19.5 Cl1.5 N2 O5
• Title of publication: Organocatalytic asymmetric vinylogous Michael addition of 3-alkylidene oxindoles to α-substituted β-nitroacrylates: Facile construction of chiral all-carbon quaternary center
• Authors of publication: Zhong, Yuan; Ma, Shixiong; Xu, Zhaoqing; Chang, Min; Wang, Rui
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 14.3843 ± 0.0003 Å
• b: 9.8961 ± 0.0003 Å
• c: 28.9183 ± 0.0007 Å
• α: 90°
• β: 100.764 ± 0.002°
• γ: 90°
• Cell volume: 4044.05 ± 0.18 ų
• Cell temperature: 292.1 ± 0.6 K
• Ambient diffraction temperature: 292.1 ± 0.6 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No