Information card for entry 7115157

Structure parameters

• Common name: [C60(O)F18]
• Formula: C67 H8 F18 O
• Calculated formula: C67 H8 F18 O
• Title of publication: C60F18O, the first characterised intramolecular fullerene ether
• Authors of publication: Boltalina, Olga V.; Troshin, Pavel A.; de La Vaissière, Benoit; Fowler, Patrick W.; Sandall, John P. B.; Hitchcock, Peter B.; Taylor, Roger
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 14
• Pages of publication: 1325
• a: 11.4675 ± 0.0004 Å
• b: 21.2128 ± 0.0009 Å
• c: 16.9247 ± 0.0006 Å
• α: 90°
• β: 101.769 ± 0.003°
• γ: 90°
• Cell volume: 4030.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No