Information card for entry 7108243

Structure parameters

• Formula: C80 H51.38 O15.19 P5
• Calculated formula: C80 H51.192 O15.192 P5
• Title of publication: Arbuzov chemistry with chlorofullerene C60Cl6: a powerful method for selective synthesis of highly functionalized [60]fullerene derivatives
• Authors of publication: Anastasiya A. Yurkova; Ekaterina A. Khakina; Sergey I. Troyanov; Alexander Chernyak; Lyubov Shmygleva; Alexander S. Peregudov; Vyacheslav M. Martynenko; Yury A. Dobrovolskiy; Pavel A. Troshin
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 8916
• a: 20.628 ± 0.001 Å
• b: 16.0821 ± 0.0007 Å
• c: 35.467 ± 0.001 Å
• α: 90°
• β: 93.754 ± 0.003°
• γ: 90°
• Cell volume: 11740.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.112
• Residual factor for significantly intense reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.2035
• Weighted residual factors for all reflections included in the refinement: 0.2231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.83774 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No