Information card for entry 7130139

Structure parameters

• Formula: C30 H28 O5 S Se
• Calculated formula: C30 H28 O5 S Se
• Title of publication: A Metal-free Four-component Sulfonylation, Giese Cyclization, Selenylation Cascade via Insertion of Sulfur Dioxide
• Authors of publication: Volla, Chandra; Nair, Akshay Murali; Halder, Indranil
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 10.4312 ± 0.0004 Å
• b: 9.1608 ± 0.0003 Å
• c: 27.6888 ± 0.0011 Å
• α: 90°
• β: 99.657 ± 0.004°
• γ: 90°
• Cell volume: 2608.4 ± 0.17 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0488
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No