Information card for entry 7156956

Structure parameters

• Formula: C20 H18 N2 O2 S
• Calculated formula: C20 H18 N2 O2 S
• Title of publication: Synthesis of thiazolo[2,3-b]quinazoline derivatives via base-promoted cascade bicyclization of o-alkenylphenyl isothiocyanates with propargylamines.
• Authors of publication: Miao, Jiankang; Sang, Xiaoyan; Wang, Yi; Deng, Shufeng; Hao, Wenyan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 29
• Pages of publication: 6994 - 6997
• a: 19.1784 ± 0.001 Å
• b: 5.9217 ± 0.0003 Å
• c: 15.119 ± 0.0009 Å
• α: 90°
• β: 92.959 ± 0.005°
• γ: 90°
• Cell volume: 1714.76 ± 0.16 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No