Information card for entry 7122976

Structure parameters

• Formula: C36 H48 B2 O4
• Calculated formula: C36 H48 B2 O4
• 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: 7.3128 ± 0.0003 Å
• b: 15.1938 ± 0.0006 Å
• c: 16.354 ± 0.0007 Å
• α: 109.425 ± 0.004°
• β: 91.69 ± 0.003°
• γ: 97.061 ± 0.003°
• Cell volume: 1695.84 ± 0.13 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1186
• Residual factor for significantly intense reflections: 0.0934
• Weighted residual factors for significantly intense reflections: 0.3174
• Weighted residual factors for all reflections included in the refinement: 0.3268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No