Information card for entry 2214398

Structure parameters

• Chemical name: 1,6,11,18,24,27,33,51,54,60-Decakis(trifluoromethyl)- 1,6,11,18,24,27,33,51,54,60-decahydro(C~60~-I~h~)[5,6]fullerene
• Formula: C70 F30
• Calculated formula: C70 F30
• SMILES: C12(c3c4C5=C1C1(C6=C7C2=C2C8(c3c3c9c4c4c%10C5(c5c1c1c6c6C%11(C7=C2C2(c7c8c3c3C8C9(c4c4c9c%10c5c5c1c1c6c6c%11c2c2c7c3c3C=8C4(C4=C9C5(c1c1c6c2c3C41C(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)C(F)(F)F)C(F)(F)F
• Title of publication: 1,6,11,18,24,27,33,51,54,60-Decakis(trifluoromethyl)-1,6,11,18,24,27,33,51,54,60-decahydro(C~60~-<i>I</i>~<i>h~</i>)[5,6]fullerene
• Authors of publication: Shustova, Natalia B.; Peryshkov, Dimitry V.; Popov, Alexey A.; Boltalina, Olga V.; Strauss, Steven H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3129 - o3129
• a: 11.0257 ± 0.0004 Å
• b: 11.4172 ± 0.0004 Å
• c: 20.4527 ± 0.0007 Å
• α: 82.369 ± 0.002°
• β: 77.01 ± 0.002°
• γ: 65.543 ± 0.002°
• Cell volume: 2281.36 ± 0.14 ų
• Cell temperature: 296 ± 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: 0.105
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes