Information card for entry 7224833

Structure parameters

• Formula: C23 H20 N4 O2
• Calculated formula: C23 H20 N4 O2
• SMILES: c1ccccc1CN1C2=C(C(=O)N(C)C2=O)C(c2ccc(C)cc2)C(=C1N)C#N
• 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: 12.735 ± 0.004 Å
• b: 11.493 ± 0.004 Å
• c: 15.844 ± 0.004 Å
• α: 90°
• β: 123.376 ± 0.017°
• γ: 90°
• Cell volume: 1936.5 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.118
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No