Information card for entry 7100675

Structure parameters

• Formula: C76 F40
• Calculated formula: C76 F40
• SMILES: FC(F)(C12c3c4C5=C1C1(C6=C7C2=C2C8(c3c3c9c4C4=C%10C5(c5c1c1c6c6C%11(C7=C2C2(c7c8c3c3C8(C9=C4C4(c9c%10c5c5c1c1c6c6c%11c2c2c7c3c3c8c4c4c9c5c1c1c6c2c3c41)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F
• Title of publication: Synthesis and Structures of Poly(perfluoroethyl)[60]fullerenes: 1,7,16,36,46,49-C60(C2F5)6 and 1,6,11,18,24,27,32,35-C60(C2F5)8
• Authors of publication: Ivan E. Kareev; Igor V. Kuvychko; Sergey F. Lebedkin; Susie M. Miller; Oren P. Anderson; Steven H. Strauss; Olga V. Boltalina
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 18.9559 ± 0.0018 Å
• b: 13.5701 ± 0.0013 Å
• c: 21.425 ± 0.002 Å
• α: 90°
• β: 98.424 ± 0.002°
• γ: 90°
• Cell volume: 5451.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No