Information card for entry 7121538

Structure parameters

• Formula: C20 H14 O3
• Calculated formula: C20 H14 O3
• Title of publication: Synthesis of 2-arylbenzofuran-3-carbaldehydes via an organocatalytic [3+2] annulation/oxidative aromatization reaction.
• Authors of publication: Zhang, Huiwen; Ma, Chunmei; Zheng, Ziwei; Sun, Rengwei; Yu, Xinhong; Zhao, Jianhong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 39
• Pages of publication: 4935 - 4938
• a: 7.2027 ± 0.0013 Å
• b: 18.296 ± 0.003 Å
• c: 22.189 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2924.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No