Information card for entry 1515076

Structure parameters

• Formula: C120 H40
• Calculated formula: C120 H40
• Title of publication: Gram-scale synthesis and crystal structures of [8]- and [10]CPP, and the solid-state structure of C60@[10]CPP
• Authors of publication: Xia, Jianlong; Bacon, Jeffrey W.; Jasti, Ramesh
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 10
• Pages of publication: 3018
• a: 12.8737 ± 0.0003 Å
• b: 19.0556 ± 0.0004 Å
• c: 27.2224 ± 0.0006 Å
• α: 69.54 ± 0.002°
• β: 79.038 ± 0.002°
• γ: 79.051 ± 0.002°
• Cell volume: 6087.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1079
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.2104
• Weighted residual factors for all reflections included in the refinement: 0.2236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No