Information card for entry 7058505

Structure parameters

• Formula: C43 H50 N10 O12 S4
• Calculated formula: C43 H50 N10 O12 S4
• 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: 8.0019 ± 0.0004 Å
• b: 15.8441 ± 0.0008 Å
• c: 20.2939 ± 0.0009 Å
• α: 84.309 ± 0.004°
• β: 84.453 ± 0.004°
• γ: 80.817 ± 0.004°
• Cell volume: 2518.9 ± 0.2 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: 0.0643
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No