Information card for entry 4037180

Structure parameters

• Formula: C24 H19 N3 O2
• Calculated formula: C24 H19 N3 O2
• SMILES: c12ccccc1Cn1c(c(c(c1c1ccccc1)N(=O)=O)c1ccc(cc1)C)N2
• Title of publication: Acid-Catalyzed Multicomponent Tandem Double Cyclization: A One-pot, Metal-free Route to Synthesize Polyfunctional 4,9-Dihydropyrrolo[2,1-b]quinazolines.
• Authors of publication: Cai, Qun; Li, Deng-Kui; Zhou, Rong-Rong; Zhuang, Shi-Yi; Ma, Jin-Tian; Wu, Yan-Dong; Wu, An-Xin
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 17
• Pages of publication: 8104 - 8111
• a: 21.051 ± 0.005 Å
• b: 12.709 ± 0.003 Å
• c: 21.176 ± 0.005 Å
• α: 90°
• β: 95.281 ± 0.004°
• γ: 90°
• Cell volume: 5641 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No