Information card for entry 7235524

Structure parameters

• Formula: C18 H14 F3 N O4 S
• Calculated formula: C18 H14 F3 N O4 S
• Title of publication: Selective synthesis and comparative activity of olefinic isomers of 1,2-benzothiazine-1,1-dioxide carboxylates as aldose reductase inhibitors
• Authors of publication: Parveen, Shagufta; Hussain, Saghir; Zhu, Shaojuan; Qin, Xiangyu; Hao, Xin; Zhang, Shuzhen; Lu, Jianglu; Zhu, Changjin
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 40
• Pages of publication: 21134
• a: 9.1171 ± 0.0013 Å
• b: 9.6587 ± 0.0018 Å
• c: 11.5594 ± 0.0018 Å
• α: 98.125 ± 0.013°
• β: 103.944 ± 0.01°
• γ: 117.147 ± 0.008°
• Cell volume: 841.1 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No