Information card for entry 7160997

Structure parameters

• Chemical name: (Z)-(4-chlorophenyl)(2-methyl-2-(2,2,2-trifluoroethyl)-1,2-dihydro-3H-benzo[d]pyrrolo[1 ,2-a]imidazol-3-ylidene)methyl diethylcarbamate
• Formula: C25 H25 Cl F3 N3 O2
• Calculated formula: C25 H25 Cl F3 N3 O2
• Title of publication: Copper-catalyzed four-component radical cascade cyclization of enynes to assemble trifluoromethyl- and carbamoyloxyl-substituted pyrrolo[1,2-<i>a</i>]benzimidazoles.
• Authors of publication: Liu, Lixin; Liu, Min; Wang, Qian; Liu, Bifu; Feng, Kejun
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• Journal volume: 24
• Journal issue: 7
• Pages of publication: 1418 - 1423
• a: 7.1709 ± 0.0005 Å
• b: 8.8883 ± 0.0007 Å
• c: 19.2532 ± 0.0015 Å
• α: 97.35 ± 0.006°
• β: 96.784 ± 0.006°
• γ: 91.666 ± 0.006°
• Cell volume: 1207.32 ± 0.16 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2525
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1654
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No