Information card for entry 7133135

Structure parameters

• Formula: C24 H27 F3 O7 S
• Calculated formula: C24 H27 F3 O7 S
• Title of publication: Macrocyclization of carbon dioxide with 3-triflyloxybenzynes and tetrahydrofuran: straightforward access to 14-membered macrolactones
• Authors of publication: Liu, Hongjian; Jiang, Huanfeng; Qi, Chaorong
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 13.4729 ± 0.0008 Å
• b: 13.6729 ± 0.0008 Å
• c: 14.874 ± 0.0008 Å
• α: 65.885 ± 0.002°
• β: 84.653 ± 0.002°
• γ: 77.547 ± 0.002°
• Cell volume: 2442 ± 0.2 ų
• Cell temperature: 171 K
• Ambient diffraction temperature: 171 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: 0.1601
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No