Information card for entry 7114717

Structure parameters

• Common name: 4,4-bis(4'-biphenyl)-2,5-cyclohexadienone
• Formula: C33 H29 O
• Calculated formula: C33 H27 O
• Title of publication: Inclusion adducts of 4,4-bis(4’-biphenylyl)cyclohexa-2,5-dienone: a clay mimic organic host
• Authors of publication: Kumar, V. S. Senthil; Nangia, Ashwini
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 22
• Pages of publication: 2392
• a: 25.052 ± 0.005 Å
• b: 20.185 ± 0.004 Å
• c: 9.7224 ± 0.0019 Å
• α: 90°
• β: 98.27 ± 0.03°
• γ: 90°
• Cell volume: 4865.2 ± 1.7 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1208
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1716
• Weighted residual factors for all reflections included in the refinement: 0.1825
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No