Information card for entry 1552300

Structure parameters

• Chemical name: 3,4',5,5'-Tetramethoxy-2'-methylbiphenyl-4-ol
• Formula: C17 H20 O5
• Calculated formula: C17 H20 O5
• SMILES: c1(cc(c(c(c1)OC)O)OC)c1cc(c(cc1C)OC)OC
• Title of publication: 3,4',5,5'-Tetramethoxy-2'-methylbiphenyl-4-ol
• Authors of publication: Gleede, Barbara; Oehl, Elisabeth K.; Schollmeyer, Dieter; Waldvogel, Siegfried R.
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 9
• Pages of publication: x191212
• a: 7.5318 ± 0.0005 Å
• b: 11.0092 ± 0.0006 Å
• c: 18.1896 ± 0.0012 Å
• α: 85.6 ± 0.005°
• β: 87.945 ± 0.005°
• γ: 78.702 ± 0.005°
• Cell volume: 1474.34 ± 0.16 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0867
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes