Information card for entry 7062198

Structure parameters

• Common name: 2-((E)-(3-(trifluoromethyl)phenylimino)methyl)-4-nitrophenol
• Chemical name: Unk
• Formula: C14 H9 F3 N2 O3
• Calculated formula: C14 H9 F3 N2 O3
• Title of publication: Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects
• Authors of publication: Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 43
• Pages of publication: 20940 - 20950
• a: 14.3061 ± 0.0003 Å
• b: 6.7681 ± 0.0002 Å
• c: 14.2305 ± 0.0003 Å
• α: 90°
• β: 106.83 ± 0.002°
• γ: 90°
• Cell volume: 1318.85 ± 0.06 ų
• Cell temperature: 294.8 ± 0.3 K
• Ambient diffraction temperature: 294.8 ± 0.3 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No