Information card for entry 2225434

Structure parameters

• Chemical name: 2,2'-[2,3,5,6-Tetramethyl-<i>p</i>-phenylenebis(methyleneoxy)]dibenzoic acid
• Formula: C26 H26 O6
• Calculated formula: C26 H26 O6
• SMILES: Cc1c(C)c(COc2ccccc2C(=O)O)c(c(c1COc1ccccc1C(=O)O)C)C
• Title of publication: 2,2'-[2,3,5,6-Tetramethyl-<i>p</i>-phenylenebis(methyleneoxy)]dibenzoic acid
• Authors of publication: Hu, Tuoping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o995
• a: 9.2841 ± 0.0016 Å
• b: 8.6936 ± 0.0015 Å
• c: 14.075 ± 0.002 Å
• α: 90°
• β: 96.902 ± 0.003°
• γ: 90°
• Cell volume: 1127.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1003
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes