Information card for entry 7161193

Structure parameters

• Formula: C26 H27 N O3 S
• Calculated formula: C26 H27 N O3 S
• Title of publication: A Hydrido-Alkynyl-Prins Cyclization Using Isopropanol as Hydride Donor: Discovery, Scope and Mechanistic Study
• Authors of publication: Baire, Beeraiah; Gollachinnamola, Ramesh; Mishra, Surabhi
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2026
• a: 9.2311 ± 0.001 Å
• b: 9.9852 ± 0.0009 Å
• c: 13.0327 ± 0.0013 Å
• α: 95.674 ± 0.003°
• β: 95.851 ± 0.004°
• γ: 109.596 ± 0.003°
• Cell volume: 1114.4 ± 0.19 ų
• Cell temperature: 263 ± 2 K
• Ambient diffraction temperature: 263 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No