Information card for entry 8100384

Structure parameters

• Formula: C7 H8 O S5
• Calculated formula: C7 H8 O S5
• SMILES: S=C1SC2SCC(SC=2S1)OCC
• Title of publication: Crystal structure of 4,5-(ethoxyethylenedithio)-1,3-dithiole-2-thione, C~7~H~8~OS~5~
• Authors of publication: Xue, Gang; Yu, Wen-Tao; Fang, Qi
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 3
• Pages of publication: 323 - 324
• a: 8.3699 ± 0.0007 Å
• b: 17.5725 ± 0.0015 Å
• c: 7.5305 ± 0.0007 Å
• α: 90°
• β: 103.584 ± 0.007°
• γ: 90°
• Cell volume: 1076.6 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No