Information card for entry 7158921

Structure parameters

• Formula: C27 H22 O3 S2
• Calculated formula: C27 H22 O3 S2
• Title of publication: A copper-catalyzed three-component reaction of dithioacetals with diazo ketones and ketimines
• Authors of publication: Sha, Hong-Kai; Qian, Yu; Yang, Xiangji; Dong, Kuiyong; Xu, Xinfang; Hu, Wenhao
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 10.2253 ± 0.0002 Å
• b: 11.0686 ± 0.0002 Å
• c: 22.4374 ± 0.0005 Å
• α: 103.079 ± 0.002°
• β: 97.132 ± 0.002°
• γ: 100.779 ± 0.002°
• Cell volume: 2392.88 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0629
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1547
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No