Information card for entry 7156869

Structure parameters

• Formula: C100 H35 O20
• Calculated formula: C111 H58 O10
• Title of publication: Diversion of the Arbuzov reaction: alkylation of C-Cl instead of phosphonic ester formation on the fullerene cage.
• Authors of publication: Kraevaya, Ol'ga A.; Peregudov, Alexander S.; Troyanov, Sergey I.; Godovikov, Ivan; Fedorova, Natalya E.; Klimova, Regina R.; Sergeeva, Vasilina A.; Kameneva, Larisa V.; Ershova, Elizaveta S.; Martynenko, Vyacheslav M.; Claes, Sandra; Kushch, Alla A.; Kostyuk, Svetlana V.; Schols, Dominique; Shestakov, Alexander F.; Troshin, Pavel A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 30
• Pages of publication: 7155 - 7160
• a: 21.893 ± 0.002 Å
• b: 16.15 ± 0.001 Å
• c: 20.433 ± 0.001 Å
• α: 90°
• β: 95.293 ± 0.005°
• γ: 90°
• Cell volume: 7193.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.2316
• Residual factor for significantly intense reflections: 0.1818
• Weighted residual factors for significantly intense reflections: 0.3751
• Weighted residual factors for all reflections included in the refinement: 0.3908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.895 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No