Information card for entry 7058504

Structure parameters

• Formula: C32 H40 N8 O6 S2
• Calculated formula: C32 H40 N8 O6 S2
• Title of publication: Saccharin guanidination via facile three-component “two saccharins-one dialkylcyanamide” integration
• Authors of publication: Dubovtsev, Alexey Yu.; Ivanov, Daniil M.; Dabranskaya, Uladzislava; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 27
• Pages of publication: 10685
• a: 8.4094 ± 0.0005 Å
• b: 13.2878 ± 0.0008 Å
• c: 16.058 ± 0.0006 Å
• α: 89.298 ± 0.004°
• β: 78.292 ± 0.004°
• γ: 72.505 ± 0.005°
• Cell volume: 1673.47 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0559
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No