Information card for entry 2019337

Structure parameters

• Formula: C14 H9 F3 N2 O5
• Calculated formula: C14 H9 F3 N2 O5
• Title of publication: 3,5-Dinitro-4-(4-trifluoromethylphenoxy)toluene, Conformationally Related to Thyroid Hormones
• Authors of publication: McKinney, J. D.; Agarwal, S. C.; Padgett, W. T.; Lambert, G. R.; Singh, P.; Nesnow, S.
• Journal of publication: Acta Crystallographica Section C Crystal Structure Communications
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 3
• Pages of publication: 428
• a: 12.397 ± 0.005 Å
• b: 8.277 ± 0.004 Å
• c: 15.169 ± 0.006 Å
• α: 90°
• β: 109.8 ± 0.3°
• γ: 90°
• Cell volume: 1464 ± 3 ų
• Cell temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.069
• Goodness-of-fit parameter for significantly intense reflections: 2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No