Information card for entry 7125427

Structure parameters

• Common name: 6a
• Chemical name: product
• Formula: C38 H38 N2 O4 S2
• Calculated formula: C36 H38 N4 O4 S2
• Title of publication: Exploration of a KI-catalyzed oxidation system for direct construction of bispyrrolidino[2,3-b]indolines and the total synthesis of (+)-WIN 64821.
• Authors of publication: Chen, Si-Kai; Yang, Ju-Song; Dai, Kun-Long; Zhang, Fu-Min; Zhang, Xiao-Ming; Tu, Yong-Qiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 121 - 124
• a: 16.4849 ± 0.0008 Å
• b: 10.3567 ± 0.0003 Å
• c: 19.7384 ± 0.0008 Å
• α: 90°
• β: 98.596 ± 0.005°
• γ: 90°
• Cell volume: 3332.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1081
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1617
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No