Information card for entry 4508361

Structure parameters

• Formula: C25 H30 N4 O2
• Calculated formula: C25 H30 N4 O2
• SMILES: O(C)C(=O)c1cc2n3c(NC(C)(C)C)c(nc3n(c2cc1)CCCC)c1ccccc1
• Title of publication: One-Pot, Two-Step Synthesis of Imidazo[1,2-a]benzimidazoles via A Multicomponent [4 + 1] Cycloaddition Reaction
• Authors of publication: Hsiao, Ya-Shan; Narhe, Bharat D.; Chang, Ying-Sheng; Sun, Chung-Ming
• Journal of publication: ACS Combinatorial Science
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 551
• a: 8.6381 ± 0.0008 Å
• b: 10.9354 ± 0.001 Å
• c: 12.3989 ± 0.0012 Å
• α: 90°
• β: 100.365 ± 0.002°
• γ: 90°
• Cell volume: 1152.1 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.111
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No