Information card for entry 1570380

Structure parameters

• Formula: C36 H40 Cu4 F4 N8
• Calculated formula: C36 H40 Cu4 F4 N8
• Title of publication: On the mechanism of benzimidazole synthesis via copper-catalysed intramolecular N-arylation
• Authors of publication: Jin, Xiaodong; Lin, Yongjie; Davies, Robert P.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 24
• Pages of publication: 7181 - 7189
• a: 9.6197 ± 0.0005 Å
• b: 14.6022 ± 0.0006 Å
• c: 15.2132 ± 0.0008 Å
• α: 116.031 ± 0.005°
• β: 98.314 ± 0.004°
• γ: 100.323 ± 0.004°
• Cell volume: 1827.89 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 0.858
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No