Information card for entry 7062001

Structure parameters

• Formula: C7 H4 F1.5 N O1.5
• Calculated formula: C7 H4.5 F1.5 N O1.5
• 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
• a: 14.3168 ± 0.0006 Å
• b: 6.7716 ± 0.0003 Å
• c: 14.232 ± 0.0005 Å
• α: 90°
• β: 106.79 ± 0.004°
• γ: 90°
• Cell volume: 1320.94 ± 0.1 ų
• Cell temperature: 299.97 ± 0.12 K
• Ambient diffraction temperature: 299.97 ± 0.12 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: 0.0728
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.2135
• Weighted residual factors for all reflections included in the refinement: 0.2377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No