Information card for entry 2013629

Structure parameters

• Chemical name: Bis(2,5-dimethoxy-3,4,6-trimethylphenyl)methane
• Formula: C23 H32 O4
• Calculated formula: C23 H32 O4
• SMILES: c1(c(c(c(c(c1C)OC)C)C)OC)Cc1c(c(c(c(c1C)OC)C)C)OC
• Title of publication: Bis(2,5-dimethoxy-4-methylphenyl)methane and bis(2,5-dimethoxy-3,4,6-trimethylphenyl)methane
• Authors of publication: Wiedenfeld, David J.; Nesterov, Vladimir N.; Minton, Mark A.; Glass, David R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: o700 - o702
• a: 24.321 ± 0.005 Å
• b: 6.141 ± 0.0012 Å
• c: 15.042 ± 0.003 Å
• α: 90°
• β: 112.21 ± 0.03°
• γ: 90°
• Cell volume: 2079.9 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes