Information card for entry 7133766

Structure parameters

• Formula: C23 H17 F6 N O2
• Calculated formula: C23 H17 F6 N O2
• Title of publication: Cross-conjugated vinylogous annulation of π-CF₃-allyl Pd-complexes with 4-methyl-3-trifluoroacetyl-quinolones.
• Authors of publication: Priyanka, Chiliveru; Madhu, Desagoni; Gangadhar, Palivela Siva; Giribabu, Lingamallu; Punna, Nagender
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 84
• Pages of publication: 12233 - 12236
• a: 11.4138 ± 0.0011 Å
• b: 11.294 ± 0.0011 Å
• c: 15.5406 ± 0.0013 Å
• α: 90°
• β: 97.968 ± 0.003°
• γ: 90°
• Cell volume: 1984 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1139
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No