Information card for entry 7157258

Structure parameters

• Formula: C22 H19 Cl N O4
• Calculated formula: C22 H19 Cl N O4
• Title of publication: FeCl₃ mediated dimerization of dihydropyrrolo[2,1-a]isoquinolines and chlorination of tetrasubstituted pyrroles.
• Authors of publication: Jiang, Xue-Fei; Tan, Hao; Cui, Hai-Lei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 4
• Pages of publication: 660 - 665
• a: 16.7456 ± 0.0005 Å
• b: 16.7456 ± 0.0005 Å
• c: 13.5915 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3811.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 106
• Hermann-Mauguin space group symbol: P 42 b c
• Hall space group symbol: P 4c -2ab
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No