Information card for entry 7111793

Structure parameters

• Formula: C68 H5 F12 O0.1
• Calculated formula: C68 H5 F12 O0.104
• Title of publication: An elusive fulvene 1,7,11,24-C60(CF3)4 and its unusual reactivity
• Authors of publication: James B. Whitaker; Igor V. Kuvychko; Natalia B. Shustova; Yu-Sheng Chen; Steven H. Strauss; Olga V. Boltalina
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 1205
• a: 39.5 ± 0.005 Å
• b: 10.1407 ± 0.0014 Å
• c: 20.1901 ± 0.0019 Å
• α: 90°
• β: 113.254 ± 0.004°
• γ: 90°
• Cell volume: 7430.3 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1504
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.4428 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No