Information card for entry 1543942

Structure parameters

• Formula: C88 H24 O4
• Calculated formula: C88 H24 O4
• Title of publication: Regioisomer effects of [70]fullerene mono-adduct acceptors in bulk heterojunction polymer solar cells.
• Authors of publication: Umeyama, Tomokazu; Miyata, Tetsushi; Jakowetz, Andreas C.; Shibata, Sho; Kurotobi, Kei; Higashino, Tomohiro; Koganezawa, Tomoyuki; Tsujimoto, Masahiko; Gélinas, Simon; Matsuda, Wakana; Seki, Shu; Friend, Richard H.; Imahori, Hiroshi
• Journal of publication: Chemical science
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 181 - 188
• a: 26.123 ± 0.004 Å
• b: 26.123 ± 0.004 Å
• c: 14.146 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9653 ± 2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 3
• Space group number: 135
• Hermann-Mauguin space group symbol: P 42/m b c
• Hall space group symbol: -P 4c 2ab
• Residual factor for all reflections: 0.1284
• Residual factor for significantly intense reflections: 0.1177
• Weighted residual factors for significantly intense reflections: 0.4081
• Weighted residual factors for all reflections included in the refinement: 0.4472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No