Information card for entry 7157841

Structure parameters

• Formula: C24 H20 Cl N O2
• Calculated formula: C24 H20 Cl N O2
• Title of publication: Calcium-catalyzed formal [3 + 2] annulation of <i>C</i>,<i>N</i>-diacyliminium ions with nucleophilic phenols: a diversity oriented synthesis of 3-aminofurans.
• Authors of publication: P, Rajesh; Almansour, Abdulrahman I.; Arumugam, Natarajan; Yaragorla, Srinivasarao
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 5
• Pages of publication: 1060 - 1065
• a: 12.2034 ± 0.0004 Å
• b: 8.3948 ± 0.0003 Å
• c: 19.2731 ± 0.0006 Å
• α: 90°
• β: 91.4 ± 0.003°
• γ: 90°
• Cell volume: 1973.85 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No