Information card for entry 7160125

Structure parameters

• Formula: C44 H56 Cl7 Cu4 N8
• Calculated formula: C44 H56 Cl7 Cu4 N8
• Title of publication: A benzimidazole-based Cu(ii) complex catalyzed site-selective C–H sulfenylation of imidazo-[1,2-a]pyridines using CS2 as a sulfur source
• Authors of publication: Ghosh, Kingkar; Ghosh, Narendra Nath; Choudhury, Prasun; Bhattacharjee, Subham; Saha, Rajat; Deb, Mayukh; Biswas, Kinkar
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 38
• Pages of publication: 7791 - 7800
• a: 12.1373 ± 0.0011 Å
• b: 21.089 ± 0.003 Å
• c: 20.202 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5171 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1052
• Residual factor for significantly intense reflections: 0.0851
• Weighted residual factors for significantly intense reflections: 0.225
• Weighted residual factors for all reflections included in the refinement: 0.2453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation wavelength: 1.54016 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No