Information card for entry 7159965

Structure parameters

• Formula: C16 H20 O3 S2
• Calculated formula: C16 H20 O3 S2
• Title of publication: Influence of steric hindrance on 1,4- versus 1,6-Michael addition: Synthesis of furans and pentasubsituted benzenes
• Authors of publication: Pratap, Ramendra; Shally, Shally; Shaw, Ranjay
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2024
• a: 7.4509 ± 0.0005 Å
• b: 8.5535 ± 0.0006 Å
• c: 13.4726 ± 0.0009 Å
• α: 87.055 ± 0.002°
• β: 83.603 ± 0.002°
• γ: 79.582 ± 0.002°
• Cell volume: 838.78 ± 0.1 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 302 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No