Information card for entry 2232070

Structure parameters

• Chemical name: 1,4-Bis(1,1-dimethylpropyl)-2,5-dimethoxybenzene
• Formula: C18 H30 O2
• Calculated formula: C18 H30 O2
• SMILES: CCC(c1cc(OC)c(cc1OC)C(CC)(C)C)(C)C
• Title of publication: 1,4-Bis(1,1-dimethylpropyl)-2,5-dimethoxybenzene
• Authors of publication: Amimoto, Kiichi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2708
• a: 6.456 ± 0.005 Å
• b: 6.551 ± 0.005 Å
• c: 10.8 ± 0.005 Å
• α: 93.12 ± 0.005°
• β: 105.95 ± 0.005°
• γ: 108.46 ± 0.005°
• Cell volume: 411.5 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0459
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes