Information card for entry 7161092

Structure parameters

• Formula: C11.69 H8.62 N1.23
• Calculated formula: C11.6923 H8.61538 N1.23077
• 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: 10.2133 ± 0.0006 Å
• b: 16.6796 ± 0.0009 Å
• c: 17.8803 ± 0.0012 Å
• α: 90°
• β: 105.687 ± 0.007°
• γ: 90°
• Cell volume: 2932.5 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1636
• Weighted residual factors for all reflections included in the refinement: 0.1766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No