Information card for entry 7064196

Structure parameters

• Formula: C48 H36 Br3 Cl9 O6
• Calculated formula: C48 H36 Br3 Cl9 O6
• 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: 39.1114 ± 0.0007 Å
• b: 39.1114 ± 0.0007 Å
• c: 5.8755 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7783.6 ± 0.2 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No