Information card for entry 2226242

Structure parameters

• Chemical name: 4,6,7,9,10,12,13,15,16,18-Decahydro-1,3-dithiolo[4,5- <i>l</i>][1,4,7,10,15]trioxadithiacycloheptadecine-2-thione
• Formula: C13 H20 O3 S5
• Calculated formula: C13 H20 O3 S5
• Title of publication: 4,6,7,9,10,12,13,15,16,18-Decahydro-1,3-dithiolo[4,5-<i>l</i>][1,4,7,10,15]trioxadithiacycloheptadecine-2-thione
• Authors of publication: Hou, Rui-Bin; Li, Bao; Yin, Bing-Zhu; Wu, Li-Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1335
• a: 14.04 ± 0.003 Å
• b: 13.616 ± 0.003 Å
• c: 10.004 ± 0.002 Å
• α: 90°
• β: 110.89 ± 0.03°
• γ: 90°
• Cell volume: 1786.7 ± 0.7 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 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: 0.044
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes