Information card for entry 7122979

Structure parameters

• Formula: C72 H80 O2
• Calculated formula: C72 H80 O2
• 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: 15.5945 ± 0.0005 Å
• b: 32.743 ± 0.0011 Å
• c: 11.5345 ± 0.0004 Å
• α: 90°
• β: 100.066 ± 0.003°
• γ: 90°
• Cell volume: 5799 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1107
• Residual factor for significantly intense reflections: 0.096
• Weighted residual factors for significantly intense reflections: 0.2126
• Weighted residual factors for all reflections included in the refinement: 0.2223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No