Information card for entry 2001908

Structure parameters

• Formula: C24 H14 F6 O3
• Calculated formula: C24 F6 O3
• SMILES: FC(F)(F)[C@]12[C@@]34[C@H]5O[C@@H]2[C@@H]1[C@H]5C(=C3[C@@H](OC(=O)c1ccccc1)c1c4cccc1)C(F)(F)F.FC(F)(F)[C@@]12[C@]34[C@@H]5O[C@H]2[C@H]1[C@@H]5C(=C3[C@H](OC(=O)c1ccccc1)c1c4cccc1)C(F)(F)F
• Title of publication: Structures of two (1:1) adducts of [α,α-bis(3,3,3-trifluoropropynyl)]benzyl benzoate 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: 1993
• Journal volume: 49
• Journal issue: 3
• Pages of publication: 595 - 598
• a: 13.138 ± 0.002 Å
• b: 13.897 ± 0.002 Å
• c: 21.912 ± 0.002 Å
• α: 90°
• β: 91.77 ± 0.02°
• γ: 90°
• Cell volume: 3998.8 ± 0.9 ų
• Cell temperature: 296 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.059
• Goodness-of-fit parameter for significantly intense reflections: 5.89
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No