Information card for entry 7128739

Structure parameters

• Common name: Eupomatenoid-6
• Chemical name: (E)-4-[3-methyl-5-(prop-1-en-1-yl)benzofuran-2-yl]phenol
• Formula: C18 H16 O2
• Calculated formula: C18 H16 O2
• SMILES: o1c(c(c2cc(ccc12)/C=C/C)C)c1ccc(cc1)O
• Title of publication: Acid-mediated intermolecular C-F/C-H cross-coupling of 2-fluorobenzofurans with arenes: synthesis of 2-arylbenzofurans.
• Authors of publication: Fujita, Takeshi; Morioka, Ryutaro; Fukuda, Takuya; Suzuki, Naoto; Ichikawa, Junji
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 68
• Pages of publication: 8500 - 8503
• a: 4.768 ± 0.002 Å
• b: 18.775 ± 0.009 Å
• c: 31.234 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2796 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1546
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.1791
• Weighted residual factors for all reflections included in the refinement: 0.204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No