Information card for entry 7157708

Structure parameters

• Formula: C23 H20 N2 O S
• Calculated formula: C23 H20 N2 O S
• Title of publication: Chemo- and regioselective synthesis of polysubstituted 2-aminothiophenes by the cyclization of <i>gem</i>-dibromo or <i>gem</i>-dichloroalkenes with β-keto tertiary thioamides.
• Authors of publication: Zhang, Xuxue; Liu, Chuan; Deng, Yupian; Cao, Song
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 38
• Pages of publication: 7540 - 7544
• a: 7.7469 ± 0.0008 Å
• b: 17.4348 ± 0.0019 Å
• c: 14.3624 ± 0.0016 Å
• α: 90°
• β: 92.609 ± 0.002°
• γ: 90°
• Cell volume: 1937.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0731
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No