Information card for entry 7130141

Structure parameters

• Formula: C29 H26 O4 S Se
• Calculated formula: C29 H26 O4 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: 7.6284 ± 0.0001 Å
• b: 10.8394 ± 0.0003 Å
• c: 15.6538 ± 0.0004 Å
• α: 78.571 ± 0.002°
• β: 85.648 ± 0.002°
• γ: 84.97 ± 0.002°
• Cell volume: 1261.55 ± 0.05 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 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: 0.0554
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No