Information card for entry 7134048

Structure parameters

• Formula: C30 H36 Cl2 O3
• Calculated formula: C30 H36 Cl2 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: 10.1704 ± 0.001 Å
• b: 12.2125 ± 0.0013 Å
• c: 12.2391 ± 0.0013 Å
• α: 66.671 ± 0.004°
• β: 78.351 ± 0.004°
• γ: 87.561 ± 0.004°
• Cell volume: 1366 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No