Information card for entry 1543476

Structure parameters

• Chemical name: 1-((<i>E</i>)-{2-[4-(2-{(1<i>E</i>)-[(Carbamothioylamino)imino]methyl}phenoxy)butoxy]benzylidene}amino)thiourea dimethyl sulfoxide disolvate
• Formula: C24 H36 N6 O4 S4
• Calculated formula: C24 H36 N6 O4 S4
• Title of publication: 1-((<i>E</i>)-{2-[4-(2-{(1<i>E</i>)-[(carbamothioylamino)imino]methyl}phenoxy)butoxy]benzylidene}amino)thiourea dimethyl sulfoxide disolvate
• Authors of publication: Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Abdel-Raheem, Eman M. M.; Albayati, Mustafa R.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 6
• Pages of publication: x160946
• a: 7.2571 ± 0.0002 Å
• b: 9.7909 ± 0.0002 Å
• c: 12.006 ± 0.0002 Å
• α: 112.984 ± 0.001°
• β: 98.163 ± 0.001°
• γ: 96.909 ± 0.001°
• Cell volume: 762.8 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0596
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1582
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes