Information card for entry 7155348

Structure parameters

• Formula: C70 H25 Br O5
• Calculated formula: C70 H25.5 Br O5
• Title of publication: Synthesis of different types of alkoxy fullerene derivatives from chlorofullerene C60Cl6.
• Authors of publication: Khakina, Ekaterina A.; Kraevaya, Ol'ga A.; Popova, Maria L.; Peregudov, Alexander S.; Troyanov, Sergey I.; Chernyak, Alexander V.; Martynenko, Vyacheslav M.; Kulikov, Alexander V.; Schols, Dominique; Troshin, Pavel A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 4
• Pages of publication: 773 - 777
• a: 19.765 ± 0.001 Å
• b: 17.35 ± 0.001 Å
• c: 24.003 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8231.2 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.2131
• Residual factor for significantly intense reflections: 0.1041
• Weighted residual factors for significantly intense reflections: 0.2425
• Weighted residual factors for all reflections included in the refinement: 0.2686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.88561 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No