Information card for entry 1554937

Structure parameters

• Formula: C133 H116 N8 O21 S4
• Calculated formula: C133 H112 N8 O21 S4
• Title of publication: Rapid access to spirocylic oxindoles: application of asymmetric N-heterocyclic carbene-catalyzed [3 + 3] cycloaddition of imines to oxindole-derived enals.
• Authors of publication: Xie, Danbo; Yang, Limin; Lin, Youqiang; Zhang, Zhiming; Chen, Dongdong; Zeng, Xiaofei; Zhong, Guofu
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 10
• Pages of publication: 2318 - 2321
• a: 10.8299 ± 0.0004 Å
• b: 17.8426 ± 0.0007 Å
• c: 16.7462 ± 0.0006 Å
• α: 90°
• β: 105.418 ± 0.004°
• γ: 90°
• Cell volume: 3119.5 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1937
• Weighted residual factors for all reflections included in the refinement: 0.2096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No