Information card for entry 7064194

Structure parameters

• Formula: C20 H16 Cl8 O2
• Calculated formula: C20 H16 Cl8 O2
• Title of publication: Synthesis of CCl3-substituted amides, ketones, indenes by intermolecular reactions of β-CCl3-enones or β-CCl3-β-hydroxy ketones with various nucleophiles in CF3SO3H
• Authors of publication: Sokolov, Vladislav A.; Bakulina, Olga; Boyarskaya, Irina A.; Spiridonova, Dar'ya V.; Kryukova, Mariya A.; Vasilyev, Aleksander
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• a: 11.2258 ± 0.0002 Å
• b: 13.766 ± 0.0003 Å
• c: 15.1288 ± 0.0003 Å
• α: 90°
• β: 93.525 ± 0.002°
• γ: 90°
• Cell volume: 2333.5 ± 0.08 ų
• Cell temperature: 99.99 ± 0.11 K
• Ambient diffraction temperature: 99.99 ± 0.11 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 0.801
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No