Information card for entry 7121344

Structure parameters

• Formula: C23 H20 N2
• Calculated formula: C23 H20 N2
• Title of publication: Base-controlled chemoselectivity reaction of vinylanilines with isothiocyanates for synthesis of quinolino-2-thione and 2-aminoquinoline derivatives.
• Authors of publication: Zhang, Xi; Wang, Tong-Lin; Huo, Cong-De; Wang, Xi-Cun; Quan, Zheng-Jun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 25
• Pages of publication: 3114 - 3117
• a: 19.4749 ± 0.0019 Å
• b: 10.8598 ± 0.0008 Å
• c: 8.3747 ± 0.0005 Å
• α: 90°
• β: 97.699 ± 0.008°
• γ: 90°
• Cell volume: 1755.2 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 3
• 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: 0.0599
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No