Information card for entry 7122833

Structure parameters

• Formula: C13 H20 N4 O4 S
• Calculated formula: C13 H20 N4 O4 S
• Title of publication: Facile, catalyst-free cascade synthesis of sulfonyl guanidines via carbodiimide coupling with amines
• Authors of publication: Hazarika, Debojit; Borah, Arun Jyoti; Phukan, Prodeep
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 5.897 ± 0.0004 Å
• b: 12.6136 ± 0.0009 Å
• c: 21.8512 ± 0.0016 Å
• α: 90°
• β: 90.674 ± 0.004°
• γ: 90°
• Cell volume: 1625.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0596
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No