Information card for entry 2014654

Structure parameters

• Chemical name: methyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
• Formula: C15 H9 Cl F3 N O5
• Calculated formula: C15 H9 Cl F3 N O5
• Title of publication: Three trifluoromethyl-substituted protoporphyrinogen IX oxidase inhibitors
• Authors of publication: Li, Bin; Lan, Yu-Ming; Hsu, Chi-Tung; Liu, Zhen-Long; Song, Hai-Bin; Wu, Chao; Yang, Hua-Zheng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o122 - o126
• a: 19.28 ± 0.005 Å
• b: 9.715 ± 0.003 Å
• c: 18.05 ± 0.005 Å
• α: 90°
• β: 109.509 ± 0.005°
• γ: 90°
• Cell volume: 3186.8 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1836
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 0.872
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No