Information card for entry 7150369

Structure parameters

• Common name: 9,9'-(Biphenyl-4,4'-diyl)bis(fluoren-9-ol). 3(1,4-dioxane) clathrate
• Chemical name: 9,9'-(Biphenyl-4,4'-diyl)bis(fluoren-9-ol). 3(1,4-dioxane) clathrate
• Formula: C50 H50 O8
• Calculated formula: C50 H50 O8
• SMILES: c1cccc2c1C(O)(c1ccc(cc1)c1ccc(C3(O)c4ccccc4c4ccccc34)cc1)c1ccccc21.C1COCCO1.C1OCCOC1.C1COCCO1
• 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: 13.1096 ± 0.0003 Å
• b: 12.8883 ± 0.0002 Å
• c: 12.0038 ± 0.0002 Å
• α: 90°
• β: 92.247 ± 0.001°
• γ: 90°
• Cell volume: 2026.61 ± 0.07 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No