Information card for entry 7234676

Structure parameters

• Formula: C13 H24 N5 O5.5 S
• Calculated formula: C13 H24 N5 O5.5 S
• Title of publication: High water soluble agrichemicals by engineered organic salts for reducing adverse environmental impacts
• Authors of publication: de Sousa Carvalho, Jr., Paulo de Sousa; Guimarães, Gelton Geraldo Fernandes; Diniz, Luan Farinelli; Ellena, Javier A.; Ribeiro, Caue
• Journal of publication: Green Chemistry
• Year of publication: 2019
• a: 8.825 ± 0.0004 Å
• b: 9.764 ± 0.0005 Å
• c: 12.08 ± 0.0006 Å
• α: 107.075 ± 0.004°
• β: 100.749 ± 0.003°
• γ: 96.427 ± 0.003°
• Cell volume: 962.04 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1097
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1827
• Weighted residual factors for all reflections included in the refinement: 0.2178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No