Information card for entry 7243810

Structure parameters

• Formula: C18 H12 F6 N2 O
• Calculated formula: C18 H12 F6 N2 O
• Title of publication: Polyfluoroalkylated antipyrines in Pd-catalyzed transformations
• Authors of publication: Shchegolkov, Evgeny V.; Burgart, Yanina V.; Matsneva, Daria A.; Borisevich, Sophia S.; Kadyrova, Renata A.; Orshanskaya, Iana R.; Zarubaev, Vladimir V.; Saloutin, Victor I.
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 56
• Pages of publication: 35174 - 35181
• a: 8.6416 ± 0.0007 Å
• b: 11.0188 ± 0.0009 Å
• c: 18.0722 ± 0.0014 Å
• α: 93.734 ± 0.006°
• β: 90.935 ± 0.006°
• γ: 95.221 ± 0.006°
• Cell volume: 1709.6 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1583
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1816
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No