Information card for entry 7150367

Structure parameters

• Common name: 9,9'-(Biphenyl-4,4'-diyl)bis(fluoren-9-ol). 4(N,N- dimethylacetamide) clathrate
• Chemical name: 9,9'-(Biphenyl-4,4'-diyl)bis(fluoren-9-ol). 4(N,N-dimethylacetamide) clathrate
• Formula: C54 H62 N4 O6
• Calculated formula: C54 H26 N4 O6
• SMILES: c1ccc2c(C(O)(c3ccc(cc3)c3ccc(cc3)C3(O)c4ccccc4c4ccccc34)c3ccccc23)c1.O=C(N(C)C)C.O=C(N(C)C)C.O=C(N(C)C)C.O=C(N(C)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: 10.2961 ± 0.0001 Å
• b: 14.9893 ± 0.0002 Å
• c: 17.8825 ± 0.0003 Å
• α: 108.255 ± 0.001°
• β: 91.524 ± 0.001°
• γ: 109.284 ± 0.001°
• Cell volume: 2447.71 ± 0.06 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: 0.1611
• Residual factor for significantly intense reflections: 0.0894
• Weighted residual factors for significantly intense reflections: 0.2508
• Weighted residual factors for all reflections included in the refinement: 0.299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No