Information card for entry 7064195

Structure parameters

• Formula: C15 H18 Cl3 N O2
• Calculated formula: C15 H18 Cl3 N 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: 9.2834 ± 0.0002 Å
• b: 11.5385 ± 0.0004 Å
• c: 16.7356 ± 0.0002 Å
• α: 76.702 ± 0.002°
• β: 83.835 ± 0.002°
• γ: 75.793 ± 0.002°
• Cell volume: 1688.77 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No