Information card for entry 4116909

Structure parameters

• Formula: C44 H32 Br12
• Calculated formula: C44 H26 Br12
• Title of publication: The First Non-Pyrolytic Synthesis of a Semibuckminsterfullerene
• Authors of publication: Andrzej Sygula; Peter W. Rabideau
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 12666 - 12667
• a: 11.5429 ± 0.0007 Å
• b: 15.975 ± 0.001 Å
• c: 13.177 ± 0.001 Å
• α: 90°
• β: 113.315 ± 0.009°
• γ: 90°
• Cell volume: 2231.4 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.073
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for all reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.085
• Goodness-of-fit parameter for all reflections: 3.83
• Goodness-of-fit parameter for significantly intense reflections: 3.752
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: Cu-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No