Information card for entry 4505199

Structure parameters

• Formula: C19.5 H30 N4 S2
• Calculated formula: C19 H26 N4 S2
• Title of publication: Crystal Engineering with Bis(thiourea) Derivatives†
• Authors of publication: Succaw, Gary L.; Weakley, Timothy J. R.; Han, Fusan; Doxsee, Kenneth M.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 6
• Pages of publication: 2288
• a: 18.535 ± 0.003 Å
• b: 9.878 ± 0.001 Å
• c: 25.659 ± 0.004 Å
• α: 90°
• β: 110.15 ± 0.01°
• γ: 90°
• Cell volume: 4410.3 ± 1.1 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.154
• Residual factor for significantly intense reflections: 0.098
• Weighted residual factors for all reflections: 0.188
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections: 2.36
• Goodness-of-fit parameter for all reflections included in the refinement: 3
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No