Information card for entry 7161093

Structure parameters

• Formula: C40 H34 N5 O
• Calculated formula: C40 H34 N5 O
• Title of publication: Rh(III)-Catalyzed Cascade C-H Activation/Amination Enables the Synthesis of 1,2-Disubstituted Benzimidazoles from Amidines and Arynes
• Authors of publication: Xu, Fen; Zhang, Shi-Yu; Huo, Jia-Qi; Zeng, Fan-Wang; Zhou, Fu-Kang; Barboni, Luciano
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 6.2779 ± 0.0013 Å
• b: 11.148 ± 0.002 Å
• c: 22.875 ± 0.005 Å
• α: 90°
• β: 97.504 ± 0.005°
• γ: 90°
• Cell volume: 1587.2 ± 0.6 ų
• Cell temperature: 131.9 ± 0.2 K
• Ambient diffraction temperature: 131.9 ± 0.2 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: 0.1706
• Residual factor for significantly intense reflections: 0.1327
• Weighted residual factors for significantly intense reflections: 0.3759
• Weighted residual factors for all reflections included in the refinement: 0.4017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No