Information card for entry 4033634

Structure parameters

• Formula: C24 H28 O2 S
• Calculated formula: C24 H28 O2 S
• SMILES: S(C12CC3CC(C1)CC(C2)C3)[C@H](c1ccccc1)c1oc(c(c1)C(=O)C)C
• Title of publication: Access to Polysubstituted (Furyl)methylthioethers via a Base-Promoted S-H Insertion Reaction of Conjugated Enynones.
• Authors of publication: Wu, Wanqing; Chen, Yang; Li, Meng; Hu, Weigao; Lin, Xuemin
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• a: 7.7019 ± 0.0005 Å
• b: 10.3698 ± 0.0007 Å
• c: 25.1234 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2006.5 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No