Information card for entry 1519212

Structure parameters

• Formula: C19 H18 F6 O4
• Calculated formula: C19 H18 F6 O4
• SMILES: FC(F)(F)C1=C2[C@@H](OCC2)[C@]2([C@@](O1)(O)C(F)(F)F)CCO[C@H]2Cc1ccccc1.FC(F)(F)C1=C2[C@H](OCC2)[C@@]2([C@](O1)(O)C(F)(F)F)CCO[C@@H]2Cc1ccccc1
• Title of publication: 2-Benzyl-4',6'-bis(trifluoromethyl)-6'-hydroxy-2',3',7',7a'-tetrahydro-6'H- spiro-(furan-3,7'-(furo(3,2-c)pyran))
• Authors of publication: Metwally, R. N.; Salem, E. E. -D. M.; El-Sagheer, A. H.; Mellor, J. M.; Coles, Simon J.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1999
• Pages of publication: 77
• a: 21.241 ± 0.004 Å
• b: 16.179 ± 0.003 Å
• c: 10.732 ± 0.002 Å
• α: 90°
• β: 92.64 ± 0.03°
• γ: 90°
• Cell volume: 3684.2 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.122
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No