Information card for entry 7238628

Structure parameters

• Formula: C20 H15 N3 O2
• Calculated formula: C20 H15 N3 O2
• Title of publication: Palladium-catalyzed aerobic oxidative C‒H amination: synthesis of 2-unsubstituted and 2-substituted N-aryl benzimidazoles
• Authors of publication: Kumar, Rapolu Kiran; Punniyamurthy, Tharmalingam
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 11
• Pages of publication: 4616
• a: 8.2036 ± 0.0006 Å
• b: 10.3079 ± 0.0008 Å
• c: 10.9919 ± 0.0009 Å
• α: 76.796 ± 0.005°
• β: 78.813 ± 0.005°
• γ: 70.229 ± 0.005°
• Cell volume: 844.64 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.1784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No