Information card for entry 7224836

Structure parameters

• Formula: C25 H22 N2 O3
• Calculated formula: C25 H22 N2 O3
• SMILES: c1cc(C)ccc1N1C2=C(C(=O)N(C)C2=O)C(c2ccccc2)C2=C1CCCC2=O
• Title of publication: Convenient synthesis of functionalized pyrrolo[3,4-b]pyridines and pyrrolo[3,4-b]quinolines via three-component reactions
• Authors of publication: Jiang, Yan-Hong; Xiao, Man; Yan, Chao Guo
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 18.3822 ± 0.0014 Å
• b: 10.3349 ± 0.0009 Å
• c: 21.4316 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4071.5 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0902
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No