Information card for entry 7232535

Structure parameters

• Formula: C17 H21 N7 O6 S
• Calculated formula: C17 H21 N7 O6 S
• Title of publication: Polymorphism and molecular conformations of nicosulfuron: structure, properties and desolvation process
• Authors of publication: Liu, Yu; Jia, Lina; Wu, Songgu; Xu, Shijie; Zhang, Xu; Jiang, Shuang; Gong, Junbo
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 17
• Pages of publication: 2790
• a: 23.197 ± 0.005 Å
• b: 14.331 ± 0.003 Å
• c: 13.596 ± 0.003 Å
• α: 90°
• β: 112.54 ± 0.03°
• γ: 90°
• Cell volume: 4174.5 ± 1.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No