Information card for entry 7232218

Structure parameters

• Common name: C60-Ph-OMe-pyridine
• Formula: C92 H42 N2 O2
• Calculated formula: C92 H42 N2 O2
• Title of publication: Synthesis, crystal structure, self-assembly of C60 derivatives bearing rigid pyridine substituents
• Authors of publication: Ai, Min; Li, Jie; Ji, Zijuan; Wang, Chuanhui; Li, Rui; Dai, Wei; Chen, Muqing
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 3050
• a: 18.0059 ± 0.0011 Å
• b: 9.9966 ± 0.0006 Å
• c: 32.4734 ± 0.0019 Å
• α: 90°
• β: 100.57 ± 0.003°
• γ: 90°
• Cell volume: 5746 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1756
• Residual factor for significantly intense reflections: 0.1361
• Weighted residual factors for significantly intense reflections: 0.3244
• Weighted residual factors for all reflections included in the refinement: 0.3484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.0331 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No