Information card for entry 1558919

Structure parameters

• Common name: 7,9,10,12-tetrahydrodithieno[3,2-f:2',3'-h][1,4]dioxecine
• Formula: C12 H12 O2 S2
• Calculated formula: C12 O2 S2
• SMILES: C1OCc2c(scc2)c2c(COC1)ccs2
• Title of publication: Synthesis of Novel Crown Ethers Derived from 3,3'-Dimethyl-2,2'-Bithienylene and Preparation of alpha,omega-Bis(3-methylenethienyl) Ethers
• Authors of publication: Zimmer, Hans; Amer, Adel; Shabana, R.; Ho, Douglas; Mark, Jr., Harry B.; Sudsuansri, Kobkul; Striley, Cindy
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1993
• Journal volume: 47
• Pages of publication: 184 - 190
• a: 6.927 ± 0.0005 Å
• b: 6.927 ± 0.0005 Å
• c: 25.0785 ± 0.0036 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1203.3 ± 0.2 ų
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0291
• Goodness-of-fit parameter for all reflections included in the refinement: 2.17
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No