Information card for entry 7052695

Structure parameters

• Chemical name: 1,4-bis(9-hydroxyfluoren-9-yl)benzene. morpholine clathrate
• Formula: C40 H40 N2 O4
• Calculated formula: C40 H40 N2 O4
• SMILES: c1cccc2c1C(O)(c1ccc(C3(O)c4ccccc4c4ccccc34)cc1)c1ccccc21.C1OCCNC1.C1CNCCO1
• 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: 8.9644 ± 0.0003 Å
• b: 9.5296 ± 0.0003 Å
• c: 10.7651 ± 0.0004 Å
• α: 101.681 ± 0.001°
• β: 91.685 ± 0.002°
• γ: 114.011 ± 0.002°
• Cell volume: 816.21 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No