Information card for entry 7064199

Structure parameters

• Formula: C29 H60 B21 F5 N P
• Calculated formula: C29 H60 B21 F5 N P
• 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: 10.3795 ± 0.0008 Å
• b: 11.6288 ± 0.0009 Å
• c: 18.0566 ± 0.0012 Å
• α: 76.631 ± 0.002°
• β: 82.103 ± 0.002°
• γ: 88.428 ± 0.002°
• Cell volume: 2100.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1718
• Weighted residual factors for all reflections included in the refinement: 0.2094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No