Information card for entry 7234675

Structure parameters

• Formula: C13 H21 N5 O4 S
• Calculated formula: C13 H21 N5 O4 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: 8.53 ± 0.0003 Å
• b: 9.831 ± 0.0003 Å
• c: 22.657 ± 0.0008 Å
• α: 90°
• β: 111.574 ± 0.001°
• γ: 90°
• Cell volume: 1766.87 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0789
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1761
• Weighted residual factors for all reflections included in the refinement: 0.1934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No