Information card for entry 2215612

Structure parameters

• Chemical name: 2,6-Bis[2-(4-benzyloxyphenyl)ethyl]biphenyl
• Formula: C42 H38 O2
• Calculated formula: C42 H38 O2
• SMILES: c1(ccccc1)COc1ccc(cc1)CCc1c(c(ccc1)CCc1ccc(cc1)OCc1ccccc1)c1ccccc1
• Title of publication: 2,6-Bis[2-(4-benzyloxyphenyl)ethyl]biphenyl
• Authors of publication: Moratti, Stephen C.; Simpson, Jim; Tierney, Steven M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o3954 - o3954
• a: 10.0431 ± 0.0003 Å
• b: 10.2145 ± 0.0003 Å
• c: 16.4136 ± 0.0005 Å
• α: 100.213 ± 0.002°
• β: 98.218 ± 0.002°
• γ: 98.642 ± 0.002°
• Cell volume: 1613.22 ± 0.09 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.1
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes