Information card for entry 4123418

Structure parameters

• Formula: C236 H176 F48 N8 O P8
• Calculated formula: C236 H176 F48 N8 O P8
• Title of publication: Semiconducting single crystals comprising segregated arrays of complexes of c60.
• Authors of publication: Barnes, Jonathan C.; Dale, Edward J.; Prokofjevs, Aleksandrs; Narayanan, Ashwin; Gibbs-Hall, Ian C; Juríček, Michal; Stern, Charlotte L.; Sarjeant, Amy A.; Botros, Youssry Y.; Stupp, Samuel I.; Stoddart, J. Fraser
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 6
• Pages of publication: 2392 - 2399
• a: 23.0809 ± 0.0005 Å
• b: 23.1311 ± 0.0006 Å
• c: 38.3125 ± 0.0009 Å
• α: 90°
• β: 94.8563 ± 0.0015°
• γ: 90°
• Cell volume: 20381.1 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1376
• Residual factor for significantly intense reflections: 0.1038
• Weighted residual factors for significantly intense reflections: 0.2819
• Weighted residual factors for all reflections included in the refinement: 0.3033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No