Information card for entry 2311932

Structure parameters

• Common name: BBO6-Me
• Chemical name: 4,4'-Bis[5-(methoxycarbonyl)pentyloxy]biphenyl
• Formula: C26 H34 O6
• Calculated formula: C26 H34 O6
• Title of publication: Structural characterization, gelation ability, and energy-framework analysis of two bis(long-chain ester)-substituted 4,4'-biphenyl compounds.
• Authors of publication: Geiger, David K.; Geiger, H. Cristina; Moore, Shawn M.; Roberts, William R.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 10
• Pages of publication: 791 - 796
• a: 26.022 ± 0.009 Å
• b: 7.41 ± 0.003 Å
• c: 6.531 ± 0.002 Å
• α: 90°
• β: 94.377 ± 0.011°
• γ: 90°
• Cell volume: 1255.7 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1227
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.2295
• Weighted residual factors for all reflections included in the refinement: 0.2644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No