Information card for entry 4511174

Structure parameters

• Formula: C130 H60 O6
• Calculated formula: C130 H60 O6
• Title of publication: Fullerene Inclusion Based on Horning-Crown Macrocycles
• Authors of publication: Makha, Mohamed; Scott, Janet L.; Strauss, Christopher R.; Sobolev, Alexandre N.; Raston, Colin L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 483
• a: 13.8439 ± 0.0003 Å
• b: 18.2149 ± 0.0004 Å
• c: 18.8645 ± 0.0004 Å
• α: 105.857 ± 0.002°
• β: 110.572 ± 0.002°
• γ: 105.722 ± 0.002°
• Cell volume: 3912.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1132
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.2176
• Weighted residual factors for all reflections included in the refinement: 0.2446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No