Information card for entry 7053634

Structure parameters

• Formula: C80 H72 F52 O12
• Calculated formula: C80 H72 F52 O12
• SMILES: c1c2c(O)cc(O)c1C(c1c(O)cc(O)c(c1)C(c1c(O)cc(O)c(c1)C(c1c(O)cc(O)c(c1)C2CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=C(C)OCC.O=C(C)OCC.O=C(C)OCC.O=C(C)OCC
• Title of publication: Synthesis, characterization, and applications of fluorous resorcin[4]arenes
• Authors of publication: Chu, Qianli; O'Neal, Kristi; Osipov, Maksim; Ngwendson, Julius N.; Geib, Steven J.; Weber, Stephen G.; Curran, Dennis P.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 12
• Pages of publication: 2732
• a: 10.6231 ± 0.0015 Å
• b: 18.888 ± 0.003 Å
• c: 24.412 ± 0.003 Å
• α: 72.853 ± 0.003°
• β: 86.22 ± 0.003°
• γ: 76.854 ± 0.003°
• Cell volume: 4557.9 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.214
• Residual factor for significantly intense reflections: 0.1203
• Weighted residual factors for significantly intense reflections: 0.3165
• Weighted residual factors for all reflections included in the refinement: 0.3683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No