Information card for entry 4505200

Structure parameters

• Formula: C20 H34 N4 S2
• Calculated formula: C19.875 H23.25 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: 13.1508 ± 0.0014 Å
• b: 15.054 ± 0.0013 Å
• c: 25.211 ± 0.002 Å
• α: 86.298 ± 0.008°
• β: 80.032 ± 0.008°
• γ: 68.092 ± 0.008°
• Cell volume: 4560.7 ± 0.8 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.157
• Residual factor for significantly intense reflections: 0.093
• Weighted residual factors for all reflections: 0.215
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections: 2.66
• Goodness-of-fit parameter for all reflections included in the refinement: 3.35
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No