Information card for entry 7053712

Structure parameters

• Formula: C104.5 H30 F30 O4
• Calculated formula: C104.5 H26 F30 O4
• Title of publication: Regioselective synthesis and crystal structure of C70(CF3)10[C(CO2Et)2]
• Authors of publication: Ovchinnikova, Nataliya S.; Ignat’eva, Daria V.; Tamm, Nadezhda B.; Avdoshenko, Stanislav M.; Goryunkov, Alexey A.; Ioffe, Ilya N.; Markov, Vitaliy Yu.; Troyanov, Sergey I.; Sidorov, Lev N.; Yurovskaya, Marina A.; Kemnitz, Erhard
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 1
• Pages of publication: 89
• a: 12.434 ± 0.001 Å
• b: 14.692 ± 0.001 Å
• c: 20.783 ± 0.001 Å
• α: 100.088 ± 0.003°
• β: 93.337 ± 0.003°
• γ: 103.419 ± 0.004°
• Cell volume: 3616.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1443
• Residual factor for significantly intense reflections: 0.1201
• Weighted residual factors for significantly intense reflections: 0.3154
• Weighted residual factors for all reflections included in the refinement: 0.3231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.91 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No