Information card for entry 7052696

Structure parameters

• Common name: 1,4-bis(9-hydroxyfluoren-9-yl)benzene. pyridine clathrate
• Chemical name: 1,4-bis(9-hydroxyfluoren-9-yl)benzene. pyridine clathrate
• Formula: C42 H32 N2 O2
• Calculated formula: C42 H32 N2 O2
• SMILES: c1cccc2c1C(O)(c1ccc(C3(O)c4ccccc4c4ccccc34)cc1)c1ccccc21.c1ccccn1.c1ccccn1
• 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: 8.8538 ± 0.0003 Å
• b: 10.4545 ± 0.0004 Å
• c: 17.0843 ± 0.0008 Å
• α: 90°
• β: 97.838 ± 0.002°
• γ: 90°
• Cell volume: 1566.58 ± 0.11 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No