Information card for entry 7105686

Structure parameters

• Formula: C37 H2 F5
• Calculated formula: C37 H2 F5
• Title of publication: Face-to-face C6F5-[60]Fullerene Interaction for Ordering Fullerene Molecules and Application to Thin-film Organic Photovoltaics
• Authors of publication: Chang-Zhu Li; Yutaka Matsuo; Takaaki Niinomi; Yoshiharu Sato; Eiichi Nakamura
• Journal of publication: Chem.Commun.
• Year of publication: 2010
• Journal volume: 46
• Pages of publication: 8582
• a: 13.897 ± 0.005 Å
• b: 13.897 ± 0.005 Å
• c: 20.108 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3883 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No