Information card for entry 7064395

Structure parameters

• Formula: C26 H23 N3 O3
• Calculated formula: C26 H23 N3 O3
• Title of publication: Sustainable ruthenium-catalyzed C–H alkylation of 2-(hetero)aryl benzimidazoles with maleimides
• Authors of publication: Shepelenko, Konstantin E.; Gnatiuk, Irina G.; Kolotova, Uliana A.; Minyaev, Mikhayl E.; Chernyshev, Victor M.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• Journal volume: 50
• Journal issue: 20
• Pages of publication: 8550 - 8554
• a: 9.40197 ± 0.00015 Å
• b: 9.52044 ± 0.00013 Å
• c: 12.31548 ± 0.00018 Å
• α: 90°
• β: 110.156 ± 0.0017°
• γ: 90°
• Cell volume: 1034.86 ± 0.03 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No