Information card for entry 7242534

Structure parameters

• Formula: C23 H14 N3 O S
• Calculated formula: C23 H14 N3 O S
• SMILES: S=C1Nc2c(C(=O)N1c1ccccc1c1nc3c(cc1)cccc3)cccc2
• Title of publication: Eco-friendly construction of spiroquinazolin-2-(thi)ones and quinolin-(thio)ureas via Fe(iii)-catalyzed multi-component domino double [4 + 2] annulations
• Authors of publication: Pan, Zhentao; Shi, Shuaijun; Yang, Xuancheng; Xiao, Xuqiong; Zhang, Wangqin; Wang, Shiliang; Ma, Yongmin
• Journal of publication: Green Chemistry
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 8
• Pages of publication: 2944 - 2949
• a: 13.632 ± 0.018 Å
• b: 13.694 ± 0.018 Å
• c: 22.48 ± 0.03 Å
• α: 98.57 ± 0.03°
• β: 95.81 ± 0.03°
• γ: 92.8 ± 0.03°
• Cell volume: 4120 ± 9 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2273
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.1651
• Weighted residual factors for all reflections included in the refinement: 0.2275
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No