Information card for entry 7126494

Structure parameters

• Formula: C19 H24.04 F3 O6 S
• Calculated formula: C19 H23.268 F3 O6 S
• Title of publication: Macrocyclization of 3-triflyloxybenzynes with tetrahydrofuran via an anionic thia-Fries rearrangement.
• Authors of publication: Cheng, Ruixiang; Xiong, Wenfang; Qi, Chaorong; Wang, Lu; Ren, Yanwei; Jiang, Huanfeng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 48
• Pages of publication: 6495 - 6498
• a: 9.3575 ± 0.0006 Å
• b: 10.2713 ± 0.0006 Å
• c: 11.5278 ± 0.0007 Å
• α: 94.471 ± 0.005°
• β: 104.322 ± 0.006°
• γ: 108.484 ± 0.006°
• Cell volume: 1003.31 ± 0.12 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.1417
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.3224
• Weighted residual factors for all reflections included in the refinement: 0.338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No