Information card for entry 2010006

Structure parameters

• Formula: C17 H12 S5
• Calculated formula: C17 H12 S5
• SMILES: S=C1SC2S[C@@H]([C@H](SC=2S1)c1ccccc1)c1ccccc1.S=C1SC2S[C@H]([C@@H](SC=2S1)c1ccccc1)c1ccccc1
• Title of publication: 5,6-Dihydro-5,6-diphenyl-1,3-dithiolo[4,5-<i>b</i>][1,4]dithiine-2-thione (DHPT-DTT), C~17~H~12~S~5~
• Authors of publication: Qi, F.; Yu, W.-T.; Xu, J.-H.; Lei, H.; Jiang, M.-H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 9
• Pages of publication: 1519 - 1522
• a: 11.704 ± 0.003 Å
• b: 12.141 ± 0.004 Å
• c: 14.315 ± 0.006 Å
• α: 101.74 ± 0.03°
• β: 110.75 ± 0.02°
• γ: 106.96 ± 0.02°
• Cell volume: 1709.1 ± 1.2 ų
• Cell temperature: 293 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.054
• Goodness-of-fit parameter for significantly intense reflections: 1.254
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No