Information card for entry 7160364

Structure parameters

• Formula: C23 H27 Cl N4 O
• Calculated formula: C23 H27 Cl N4 O
• Title of publication: Axially chiral dimethylaminobenzimidazoles and their preliminary evaluation as acyl-transfer reagents.
• Authors of publication: Toman, Daniel; Nemec, Ivan; Kurka, Ondřej; Přibylka, Adam; Cankař, Petr
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 11
• Pages of publication: 2672 - 2682
• a: 10.1352 ± 0.0001 Å
• b: 11.2399 ± 0.0001 Å
• c: 18.295 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2084.14 ± 0.04 ų
• Cell temperature: 99.98 ± 0.15 K
• Ambient diffraction temperature: 99.98 ± 0.15 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No