Information card for entry 7161219

Structure parameters

• Formula: C29 H33 N O2 S3
• Calculated formula: C29 H33 N O2 S3
• Title of publication: Aza-Prins Type Cyclisation of Vinyl Bis-Sulfide-Tethered Amines for the Collective Synthesis of Piperidine, Indolizidine and Isoindolone Natural Products
• Authors of publication: Gharpure, Santosh J.; Yadav, Rakhi; Gupta, Krishna Suraj; Kadam, Girish P.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2026
• a: 32.7633 ± 0.0009 Å
• b: 9.4879 ± 0.0003 Å
• c: 17.0617 ± 0.0006 Å
• α: 90°
• β: 102.72 ± 0.003°
• γ: 90°
• Cell volume: 5173.5 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0562
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No