Information card for entry 7155500

Structure parameters

• Chemical name: 2-Methoxy-4'-phenyl-[1,1':2',1''-terphenyl]-3'-ol (9d)
• Formula: C25 H20 O2
• Calculated formula: C25 H20 O2
• SMILES: c1(c(c(ccc1c1ccccc1)c1c(cccc1)OC)c1ccccc1)O
• Title of publication: One-pot construction of sterically challenging and diverse polyarylphenols via transition-metal-free benzannulation and their potent in vitro antioxidant activity.
• Authors of publication: Maezono, Shizuka Mei Bautista; Poudel, Tej Narayan; Lee, Yong Rok
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 9
• Pages of publication: 2052 - 2062
• a: 9.5607 ± 0.0009 Å
• b: 10.284 ± 0.001 Å
• c: 10.9413 ± 0.001 Å
• α: 100.114 ± 0.004°
• β: 114.21 ± 0.004°
• γ: 102.16 ± 0.004°
• Cell volume: 916.8 ± 0.16 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No