Information card for entry 7150368

Structure parameters

• Common name: 9,9'-(Biphenyl-4,4'-diyl)bis(fluoren-9-ol). 2(N,N- dimethylacetamide) clathrate
• Chemical name: 9,9'-(Biphenyl-4,4'-diyl)bis(fluoren-9-ol). 2(N,N-dimethylacetamide) clathrate
• Formula: C46 H44 N2 O4
• Calculated formula: C46 H44 N2 O4
• SMILES: c1cccc2c1C(c1ccc(cc1)c1ccc(C3(O)c4ccccc4c4ccccc34)cc1)(c1c2cccc1)O.C(=O)(C)N(C)C.C(=O)(C)N(C)C
• 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: 7.9629 ± 0.0003 Å
• b: 9.0266 ± 0.0004 Å
• c: 13.5092 ± 0.0007 Å
• α: 77.015 ± 0.002°
• β: 83.033 ± 0.002°
• γ: 84.212 ± 0.002°
• Cell volume: 936.47 ± 0.07 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1197
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1722
• Weighted residual factors for all reflections included in the refinement: 0.2029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No