Information card for entry 4511175

Structure parameters

• Formula: C120 H60 O6
• Calculated formula: C120 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: 13.834 ± 0.007 Å
• b: 17.166 ± 0.004 Å
• c: 18.809 ± 0.004 Å
• α: 116.079 ± 0.002°
• β: 98.419 ± 0.003°
• γ: 103.934 ± 0.004°
• Cell volume: 3727 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1121
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1951
• Weighted residual factors for all reflections included in the refinement: 0.2233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.6775 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No