Information card for entry 4109279

Structure parameters

• Formula: C134 H44
• Calculated formula: C134 H44
• Title of publication: A Double Concave Hydrocarbon Buckycatcher
• Authors of publication: Andrzej Sygula; Frank R. Fronczek; Renata Sygula; Peter W. Rabideau; Marilyn M. Olmstead
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 3842 - 3843
• a: 9.773 ± 0.0015 Å
• b: 22.253 ± 0.003 Å
• c: 17.334 ± 0.003 Å
• α: 90°
• β: 98.202 ± 0.007°
• γ: 90°
• Cell volume: 3731.2 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 2
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.157
• Weighted residual factors for all reflections included in the refinement: 0.178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No