Information card for entry 7129218

Structure parameters

• Formula: C29 H36 N4
• Calculated formula: C29 H36 N4
• SMILES: c1ccccc1N(C(C)C)c1cc2c(cc1N(C(C)C)c1ccccc1)n(c(C)n2)C(C)C
• Title of publication: Synthesis of Functionalized Benzimidazoles via Oxidative Tandem Quartic C–H Aminations and Cleavage of C–N and C–C bonds
• Authors of publication: Liang, Taoyuan; Zhao, He; Gong, Lingzhen; Jiang, Huanfeng; Zhang, Min
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 19.74 ± 0.03 Å
• b: 9.77 ± 0.014 Å
• c: 28.46 ± 0.04 Å
• α: 90°
• β: 110.263 ± 0.017°
• γ: 90°
• Cell volume: 5149 ± 13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.2023
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1746
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No