Information card for entry 2210010

Structure parameters

• Chemical name: 1,6,11,18,24,27,52,55-Octakis(trifluoromethyl)-1,6,11,18,24,27,52,55- octahydro(C~60~-I~h~)[5,6]fullerene
• Formula: C68 F24
• Calculated formula: C68 F24
• SMILES: C12(c3c4C5=C1C1(C6=C7C2=C2C8(c3c3c9c4c4c%10C5(c5c1c1c6c6C%11(C7=C2C2(c7c8c3c3c8c9c4c4c9c%10c5c5c1c1c6c6c%11c2c2c7c3c3c8c4C4(c9c5C1(C1c6c2c3C4=1)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
• Title of publication: 1,6,11,18,24,27,52,55-Octakis(trifluoromethyl)-1,6,11,18,24,27,52,55-octahydro(C~60~-I~<i>h~</i>)[5,6]fullerene
• Authors of publication: Kareev, Ivan E.; Shustova, Natalia B.; Newell, Brian S.; Miller, Susie M.; Anderson, Oren P.; Strauss, Steven H.; Boltalina, Olga V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3154 - o3156
• a: 17.4108 ± 0.0013 Å
• b: 9.7708 ± 0.0008 Å
• c: 24.5142 ± 0.0018 Å
• α: 90°
• β: 92.589 ± 0.004°
• γ: 90°
• Cell volume: 4166 ± 0.6 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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
• Residual factor for all reflections: 0.099
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes