Information card for entry 7122981

Structure parameters

• Formula: C126 H66 Cl4
• Calculated formula: C124 H64
• Title of publication: Heating Activated Isomeric All-hydrocarbon Molecular Receptors for Fullerene Separation
• Authors of publication: Yang, Yu-Dong; Gong, Han-Yuan
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 44.4974 ± 0.0006 Å
• b: 16.3918 ± 0.0002 Å
• c: 22.3586 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16308.2 ± 0.3 ų
• Cell temperature: 100 ± 0.13 K
• Ambient diffraction temperature: 100 ± 0.13 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1572
• Residual factor for significantly intense reflections: 0.1493
• Weighted residual factors for significantly intense reflections: 0.3413
• Weighted residual factors for all reflections included in the refinement: 0.3472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No