Information card for entry 7243501

Structure parameters

• Chemical name: 2-(4-chlorophenyl)-7-iodo-3-phenyl-1-benzofuran
• Formula: C20 H12 Cl I O
• Calculated formula: C20 H12 Cl I O
• Title of publication: Domino C‒C/C‒O bond formation: palladium-catalyzed regioselective synthesis of 7-iodobenzo[b]furans using 1,2,3-triiodobenzenes and benzylketones
• Authors of publication: Al-Zoubi, Raed M.; Al-Jammal, Walid K.; Ferguson, Michael J.; Murphy, Graham K.
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 48
• Pages of publication: 30069 - 30077
• a: 9.244 ± 0.002 Å
• b: 9.988 ± 0.003 Å
• c: 10.515 ± 0.003 Å
• α: 86.607 ± 0.003°
• β: 65.448 ± 0.003°
• γ: 70.67 ± 0.003°
• Cell volume: 829.8 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No