Information card for entry 4505195

Structure parameters

• Formula: C22 H38 N4 S2
• Calculated formula: C20.5 H37.5 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: 16.755 ± 0.002 Å
• b: 16.755 ± 0.002 Å
• c: 18.559 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5210.1 ± 1.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for all reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections: 1.75
• Goodness-of-fit parameter for all reflections included in the refinement: 2.66
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No