Information card for entry 7105840

Structure parameters

• Formula: C78 F42
• Calculated formula: C78 F42
• SMILES: C12(c3c4c5c1c1C6(c7c2c2c8c3c3c9c4C4(c%10c5c5c1c1c6c6c%11c7c2c2c7c8c3c3c8c9c4c4C9(c%10c5c5c1c1c6C6(c%11c2C2(c7c3c3c8c4c4c9c5c1c1c6c2c3c41)C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(C(F)(F)F)F)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: 10.2212 ± 0.0006 Å
• b: 13.6183 ± 0.0008 Å
• c: 21.3423 ± 0.0013 Å
• α: 80.248 ± 0.002°
• β: 87.129 ± 0.002°
• γ: 71.128 ± 0.002°
• Cell volume: 2770.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0941
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.4428 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No