Information card for entry 7122999

Structure parameters

• Formula: C23 H15 Br O2 S
• Calculated formula: C23 H15 Br O2 S
• Title of publication: Regioselective synthesis of polycyclic sulfones via radical-induced three-component bicyclization cascades
• Authors of publication: Jiang, Bo; Qin, Xiao-Yan; He, Long; Li, Jing; Hao, Wen-Juan; Tu, Shu-Jiang
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 8.4326 ± 0.0007 Å
• b: 11.5349 ± 0.0009 Å
• c: 18.9409 ± 0.0015 Å
• α: 90°
• β: 91.007 ± 0.001°
• γ: 90°
• Cell volume: 1842.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No