Information card for entry 2000411

Structure parameters

• Formula: C18 H14 F6 O4
• Calculated formula: C18 H14 F9 O4
• Title of publication: Structure of a (1:2) adduct of 1,1-[bis(3,3,3-trifluoropropynly)]ethyl acetate and furan
• Authors of publication: Barlow, M. G.; Beagley, B.; Pritchard, R. G.; Tajammal, S.; Tipping, A. E.; Wright, A. P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 12
• Pages of publication: 2264 - 2266
• a: 7.799 ± 0.003 Å
• b: 30.488 ± 0.009 Å
• c: 8.046 ± 0.002 Å
• α: 90°
• β: 119.21°
• γ: 90°
• Cell volume: 1669.9 ± 0.9 ų
• Cell temperature: 296 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.026
• Goodness-of-fit parameter for significantly intense reflections: 1.84
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No