Information card for entry 2217818

Structure parameters

• Chemical name: 1,4-Bis(benzyloxy)-2-tert-butylbenzene
• Formula: C24 H26 O2
• Calculated formula: C24 H26 O2
• SMILES: c1ccc(cc1)COc1c(cc(cc1)OCc1ccccc1)C(C)(C)C
• Title of publication: 1,4-Bis(benzyloxy)-2-<i>tert</i>-butylbenzene
• Authors of publication: Wang, Guo-wei; Wu, Wen-yuan; Zhuang, Ling-hua; Wang, Jin-tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o620
• a: 6.557 ± 0.0013 Å
• b: 23.772 ± 0.005 Å
• c: 12.924 ± 0.003 Å
• α: 90°
• β: 93.21 ± 0.03°
• γ: 90°
• Cell volume: 2011.3 ± 0.7 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: 0.1298
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes