Information card for entry 1554725

Structure parameters

• Chemical name: C60(OCH2CH2F)8
• Formula: C76 H32 F8 O8
• Calculated formula: C76 H32 F8 O8
• SMILES: C12(C3C4(c5c6C7(C=3C3(C8=C7C7(OCCF)c9c6c6c5c5C%10(C4=C1C1(OCCF)c4c%11c2c3c2c3C8(OCCF)c8c7c7c9c9c6c6c5c5c%10c1c1c4c4c(c%112)c2c3c8c3c7c7c9c6c6c5c1c1c4c2c3c7c61)OCCF)OCCF)OCCF)OCCF)OCCF
• Title of publication: Highly soluble C2v-symmetrical fullerene derivatives: efficient synthesis, characterization, and electrochemical study
• Authors of publication: Ma, Yue; Uchiyama, Kouya; Ueno, Hiroshi; Okada, Hiroshi; Moriyama, Hiroshi; Matsuo, Yutaka
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 9
• Pages of publication: 1372
• a: 22.035 ± 0.012 Å
• b: 15.426 ± 0.007 Å
• c: 17.593 ± 0.01 Å
• α: 90°
• β: 121.518 ± 0.007°
• γ: 90°
• Cell volume: 5098 ± 5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1435
• Residual factor for significantly intense reflections: 0.0915
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No