Information card for entry 2311933

Structure parameters

• Common name: BBO6-Et
• Chemical name: 4,4'-Bis[5-(ethoxycarbonyl)pentyloxy]biphenyl
• Formula: C28 H38 O6
• Calculated formula: C28 H38 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: 26.594 ± 0.007 Å
• b: 7.5344 ± 0.0017 Å
• c: 6.5302 ± 0.0014 Å
• α: 90°
• β: 95.872 ± 0.008°
• γ: 90°
• Cell volume: 1301.6 ± 0.5 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: 0.1204
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1958
• Weighted residual factors for all reflections included in the refinement: 0.2322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No