Information card for entry 7160365

Structure parameters

• Formula: C25 H30 N4 O
• Calculated formula: C25 H30 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: 7.4617 ± 0.0001 Å
• b: 13.9068 ± 0.0001 Å
• c: 10.4601 ± 0.0001 Å
• α: 90°
• β: 93.523 ± 0.001°
• γ: 90°
• Cell volume: 1083.38 ± 0.019 ų
• Cell temperature: 89.9 ± 0.4 K
• Ambient diffraction temperature: 89.9 ± 0.4 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: 0.0297
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No