Information card for entry 7151575

Structure parameters

• Common name: [C60F15{C(CO2Et)3}3].2(CDCl3)
• Formula: C92 H45 Cl6 D2 F15 O18
• Calculated formula: C92 H47 Cl6 F15 O18
• Title of publication: Design and synthesis of multi-component 18 pi annulenic fluorofullerene ensembles suitable for donor-acceptor applications.
• Authors of publication: Burley, Glenn A.; Avent, Anthony G.; Gol'dt, Ilya V.; Hitchcock, Peter B.; Al-Matar, Hamad; Paolucci, Demis; Paolucci, Francesco; Fowler, Patrick W.; Soncini, Alessandro; Street, Joan M.; Taylor, Roger
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 3
• Pages of publication: 319 - 329
• a: 14.2716 ± 0.0002 Å
• b: 17.0905 ± 0.0003 Å
• c: 17.5293 ± 0.0002 Å
• α: 76.145 ± 0.001°
• β: 74.066 ± 0.001°
• γ: 80.183 ± 0.001°
• Cell volume: 3966.45 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1172
• Residual factor for significantly intense reflections: 0.0902
• Weighted residual factors for significantly intense reflections: 0.2301
• Weighted residual factors for all reflections included in the refinement: 0.2518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No