Information card for entry 1573542

Structure parameters

• Formula: C86 H44 N2
• Calculated formula: C86 H44 N2
• Title of publication: Single-isomer bis(pyrrolidino)fullerenes as electron-transporting materials for tin halide perovskite solar cells.
• Authors of publication: Nakamura, Tomoya; Nagai, Takabumi; Miyake, Yuki; Yamada, Takumi; Miura, Makoto; Yoshida, Hiroyuki; Kanemitsu, Yoshihiko; Truong, Minh Anh; Murdey, Richard; Wakamiya, Atsushi
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 5
• Pages of publication: 2265 - 2272
• a: 15.8224 ± 0.0005 Å
• b: 21.9763 ± 0.0006 Å
• c: 28.7119 ± 0.0012 Å
• α: 90°
• β: 93.501 ± 0.003°
• γ: 90°
• Cell volume: 9965 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1709
• Residual factor for significantly intense reflections: 0.1094
• Weighted residual factors for significantly intense reflections: 0.2079
• Weighted residual factors for all reflections included in the refinement: 0.2343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No