Information card for entry 7105841

Structure parameters

• Formula: C66 F14
• Calculated formula: C66 F14
• SMILES: C12(c3c4c5c1c1c6c7c2c2C8(c3c3c9c8c8c%10c2c7c2c7c6c6c1c1c5c5c%11c4c3c3c%11c4c%11c5c1c1c6c5c7c6c2c%10c2c8c7c9c3c3c4c4c%11c1c5c1c6c2c(c73)c41)C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(C(F)(F)F)F
• Title of publication: Chemical tailoring of fullerene acceptor materials: synthesis, structures and electrochemical properties of perfluoroisopropylfullerenes
• Authors of publication: Natalia Shustova; Igor V. Kuvychko; Dmitry Peryshkov; James Whitaker; Bryon Larson; Yu-Sheng Chen; Lothar Dunsch; Konrad Seppelt; Alexey Popov; Steven Strauss; Olga Boltalina
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 875
• a: 19.622 ± 0.004 Å
• b: 17.836 ± 0.003 Å
• c: 10.009 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3502.9 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 2
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No