Information card for entry 4029498

Structure parameters

• Formula: C30 H24 N4
• Calculated formula: C30 H24 N4
• SMILES: n1c2c(n3c1c(ccc3)C)c(c(c(c2C#N)C#N)c1ccc(cc1)CC)c1ccc(cc1)CC
• Title of publication: One-step synthesis of pyrido[1,2-a]benzimidazole derivatives by a novel multicomponent reaction of chloroacetonitrile, malononitrile, aromatic aldehyde, and pyridine.
• Authors of publication: Yan, Chao Guo; Wang, Qi Fang; Song, Xiao Kai; Sun, Jing
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2009
• Journal volume: 74
• Journal issue: 2
• Pages of publication: 710 - 718
• a: 10.1633 ± 0.0017 Å
• b: 10.883 ± 0.0017 Å
• c: 12.1 ± 0.002 Å
• α: 78.048 ± 0.002°
• β: 67.239 ± 0.002°
• γ: 79.691 ± 0.002°
• Cell volume: 1200.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No