Information card for entry 7134047

Structure parameters

• Formula: C19 H25 Cl O3
• Calculated formula: C19 H25 Cl O3
• Title of publication: AgOTf-catalyzed cascade annulation of 5-hexyn-1-ols and aldehydes: Enabling the diastereoselective synthesis of [6,6,6]-trioxa-fused ketals and hexahydro-2H-chromenes
• Authors of publication: Vinodkumar, Ramavath; Nakate, Ashwini Kadaji; Gamidi, Rama Krishna; Kontham, Ravindar
• Journal of publication: Chemical Communications
• Year of publication: 2025
• a: 14.719 ± 0.003 Å
• b: 12.729 ± 0.002 Å
• c: 8.8925 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1666.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1049
• Residual factor for significantly intense reflections: 0.0903
• Weighted residual factors for significantly intense reflections: 0.2061
• Weighted residual factors for all reflections included in the refinement: 0.2138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No