Information card for entry 4114516

Structure parameters

• Common name: C6BP
• Chemical name: 4-n-hexylbiphenyl
• Formula: C18 H22
• Calculated formula: C18 H22
• SMILES: c1(ccc(cc1)CCCCCC)c1ccccc1
• Title of publication: Structural Characterization of Crystalline Ternary Inclusion Compounds at the Air-Water Interface
• Authors of publication: David J. Plaut; Stephen M. Martin; Kristian Kjaer; Markus J. Weygand; Meir Lahav; Leslie Leiserowitz; Isabelle Weissbuch; Michael D. Ward
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 15922 - 15934
• a: 31.558 ± 0.018 Å
• b: 5.377 ± 0.005 Å
• c: 7.943 ± 0.005 Å
• α: 90°
• β: 93.216 ± 0.019°
• γ: 90°
• Cell volume: 1345.7 ± 1.7 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 2
• 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: 0.19
• Residual factor for significantly intense reflections: 0.1527
• Weighted residual factors for significantly intense reflections: 0.3604
• Weighted residual factors for all reflections included in the refinement: 0.3801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.5594 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No