Information card for entry 8101850

Structure parameters

• Chemical name: trans-2,4-bis(sec-butyl)-2,4-bis((2-methyl-1-thioxo)butylsufanyl)-1,3- dithietane
• Formula: C20 H36 S6
• Calculated formula: C20 H36 S6
• Title of publication: Crystal structure of trans-2,4-bis(sec-butyl)-2,4-bis((2-methyl-1- thioxo)butylsulfanyl)-1,3-dithietane, C~2~S~2~(C~4~H~9~)~2~(C~4~H~9~CS~2~) ~2~
• Authors of publication: Mahjoub, A.; Durif, A.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 4
• Pages of publication: 541 - 542
• a: 12.008 ± 0.003 Å
• b: 6.05 ± 0.002 Å
• c: 17.858 ± 0.005 Å
• α: 90°
• β: 99.34 ± 0.02°
• γ: 90°
• Cell volume: 1280.2 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections: 1.992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.992
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No