Information card for entry 7224834

Structure parameters

• Formula: C22 H19 Cl N4 O3
• Calculated formula: C22 H19 Cl N4 O3
• SMILES: c1cc(C)ccc1N1C2=C(C(=O)N(C)C2=O)C(c2ccc(cc2)Cl)C(=C1N)C(=O)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: 26.111 ± 0.016 Å
• b: 9.63 ± 0.005 Å
• c: 19.502 ± 0.011 Å
• α: 90°
• β: 110.954 ± 0.018°
• γ: 90°
• Cell volume: 4579 ± 5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No