Information card for entry 8106234

Structure parameters

• Formula: C14 H14 F3 N5 O6 S
• Calculated formula: C14 H14 F3 N5 O6 S
• Title of publication: Crystal structure of N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-3-(2,2,2-trifluoroethoxy)-2-pyridinesulfonamide, C14H14F3N5O6S
• Authors of publication: Xiu-Ying, Song; Ling, Fu; Wan-Ming, Xiong; Nian-Qian, Kang; Xu-Liang, Nie
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 4
• Pages of publication: 615 - 616
• a: 12.512 ± 0.004 Å
• b: 12.572 ± 0.004 Å
• c: 12.511 ± 0.004 Å
• α: 90°
• β: 114.39°
• γ: 90°
• Cell volume: 1792.4 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0557
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No