Information card for entry 7232534

Structure parameters

• Chemical name: nicosulfuron
• Formula: C15 H20 N6 O7 S
• Calculated formula: C15 H20 N6 O7 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: 14.141 ± 0.003 Å
• b: 15.307 ± 0.003 Å
• c: 19.905 ± 0.004 Å
• α: 67.42 ± 0.03°
• β: 77.79 ± 0.03°
• γ: 83.87 ± 0.03°
• Cell volume: 3886.7 ± 1.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1333
• Residual factor for significantly intense reflections: 0.0873
• Weighted residual factors for significantly intense reflections: 0.2068
• Weighted residual factors for all reflections included in the refinement: 0.2401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No