Information card for entry 7100676

Structure parameters

• Formula: C72 F30
• Calculated formula: C72 F30
• SMILES: C12(c3c4c5c1c1C6(C7=C2c2c8c3c3c9c4C4(C%10c5c5c1c1c6c6c%11c7c2c2c7c8c3c3c8c9c4c4C9(C=%10c5c5c1c1c6c6c%11c2C2(c7c3C3(c8c4c4c9c5c1c1c6C2=C3c41)C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F)C(C(F)(F)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: 9.8807 ± 0.0008 Å
• b: 14.6719 ± 0.0013 Å
• c: 16.5397 ± 0.0014 Å
• α: 89.944 ± 0.002°
• β: 84.994 ± 0.002°
• γ: 75.915 ± 0.002°
• Cell volume: 2316.3 ± 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No