Information card for entry 4112763

Structure parameters

• Chemical name: RhC60Me5CNPh3codTHF3
• Formula: C104 H66 N O3 Rh
• Calculated formula: C104 H66 N O3 Rh
• Title of publication: Creation of Hoop- and Bowl-Shaped Benzenoid Systems by Selective Detraction of [60]Fullerene Conjugation. [10]Cyclophenacene and Fused Corannulene Derivatives
• Authors of publication: Yutaka Matsuo; Kazukuni Tahara; Masaya Sawamura; Eiichi Nakamura
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 8725 - 8734
• a: 14.346 ± 0.0007 Å
• b: 14.583 ± 0.0014 Å
• c: 32.122 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6720.2 ± 1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0955
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.1981
• Weighted residual factors for all reflections included in the refinement: 0.2162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No