Information card for entry 7150370

Structure parameters

• Common name: 9,9'-(Biphenyl-4,4'-diyl)bis(flouren-9-ol). 2(methyl ethyl ketone) clathrate
• Chemical name: 9,9'-(Biphenyl-4,4'-diyl)bis(flouren-9-ol). 2(methyl ethyl ketone) clathrate
• Formula: C46 H42 O4
• Calculated formula: C46 H42 O4
• Title of publication: Inclusion by a fluorenyl host with volatile guests: structures, thermal stability and kinetics.
• Authors of publication: Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.; Ripmeester, John A.; Weber, Edwin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 16
• Pages of publication: 2299 - 2304
• a: 7.7993 ± 0.0001 Å
• b: 21.9845 ± 0.0004 Å
• c: 21.0296 ± 0.0004 Å
• α: 90°
• β: 94.552 ± 0.001°
• γ: 90°
• Cell volume: 3594.44 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No