Information card for entry 7052691

Structure parameters

• Common name: 1,4-bis(9-hydroxyfluoren-9-yl)benzene. 2-picoline clathrate
• Chemical name: 1,4-bis(9-hydroxyfluoren-9-yl)benzene. 2-picoline clathrate
• Formula: C44 H36 N2 O2
• Calculated formula: C44 H32 N2 O2
• Title of publication: Enclathration of bases by a fluorenyl host: structure, stability and selectivity
• Authors of publication: Bourne, Susan A.; Corin, Kirsten; Cruickshank, Dyanne L.; Davson, Jessica; Nassimbeni, Luigi R.; Su, Hong; Weber, Edwin
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 7
• Pages of publication: 1556
• a: 14.5758 ± 0.0004 Å
• b: 15.5947 ± 0.0004 Å
• c: 14.6354 ± 0.0004 Å
• α: 90°
• β: 90.907 ± 0.001°
• γ: 90°
• Cell volume: 3326.29 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.1071
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.1787
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No