Information card for entry 2222148

Structure parameters

• Chemical name: 2,2',4,4',6,6'-Hexamethylbiphenyl-3,3',5,5'-tetrayltetramethylene tetraacetate
• Formula: C30 H38 O8
• Calculated formula: C30 H38 O8
• SMILES: CC(=O)OCc1c(C)c(c2c(C)c(COC(=O)C)c(c(c2C)COC(=O)C)C)c(c(c1C)COC(=O)C)C
• Title of publication: 2,2',4,4',6,6'-Hexamethylbiphenyl-3,3',5,5'-tetrayltetramethylene tetraacetate
• Authors of publication: Hu, Tuoping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1355
• a: 15.336 ± 0.002 Å
• b: 12.658 ± 0.001 Å
• c: 14.755 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2864.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.167
• Weighted residual factors for all reflections included in the refinement: 0.199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes