Information card for entry 8105929

Structure parameters

• Formula: C14 H26 N4 S4
• Calculated formula: C14 H26 N4 S4
• Title of publication: Crystal structure of 4-ethylpiperazine-1-carbothioic dithioperoxyanhydride, C14H26N4S4
• Authors of publication: Ayom, Gwaza E.; Khan, Malik D.; Zamisa, Sizwe J.; Revaprasadu, Neerish
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 5
• Pages of publication: 1035 - 1036
• a: 16.9951 ± 0.001 Å
• b: 11.4397 ± 0.0007 Å
• c: 9.7678 ± 0.0006 Å
• α: 90°
• β: 103.913 ± 0.001°
• γ: 90°
• Cell volume: 1843.33 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0209
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No