Information card for entry 7107544

Structure parameters

• Formula: C78 H26 O2 Si2
• Calculated formula: C78 H26 O2 Si2
• SMILES: [Si](c1ccccc1)(C[C@@]12c3c4[C@]5(C(=O)c6c7c(C1=O)c1c8c2c2c3c3c9c4c4c5c5c6c6c%10c7c7c1c1c8c8c2c2c3c3c9c9c4c4c5c6c5c6c%10c7c7c1c1c8c2c2c3c3c9c4c5c4c3c2c1c7c64)C[Si](c1ccccc1)(C)C)(C)C
• Title of publication: Deterioration of bulk heterojunction organic photovoltaic devices by a minute amount of oxidized fullerene
• Authors of publication: Yutaka Matsuo; Ayako Ozu; Naoki Obata; Naoya Fukuda; Hideyuki Tanaka; Eiichi Nakamura
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 3878
• a: 10.1403 ± 0.0006 Å
• b: 14.7265 ± 0.0009 Å
• c: 17.2757 ± 0.0011 Å
• α: 108.121 ± 0.004°
• β: 102.047 ± 0.004°
• γ: 101.911 ± 0.004°
• Cell volume: 2293.4 ± 0.3 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.2765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No