Information card for entry 1570383

Structure parameters

• Formula: C30 H28 Cu2 F2 N6
• Calculated formula: C30 H28 Cu2 F2 N6
• 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: 17.3777 ± 0.0006 Å
• b: 14.539 ± 0.0005 Å
• c: 10.7488 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2715.73 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No