Information card for entry 2000392

Structure parameters

• Formula: C20 H19 O3.5 S3
• Calculated formula: C20 H19 O3.5 S3
• SMILES: CC(=O)c1scc(c1)C(c1csc(c1)C(=O)C)c1csc(c1)C(=O)C.CCO
• Title of publication: Structure of tris(5-acetyl-3-thienyl)methane-ethanol (2/1) inclusion compound
• Authors of publication: Dillen, J. L. M.; Roos, H. M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 12
• Pages of publication: 2229 - 2231
• a: 12.488 ± 0.005 Å
• b: 10.372 ± 0.005 Å
• c: 8.335 ± 0.005 Å
• α: 84.95 ± 0.05°
• β: 108.74 ± 0.05°
• γ: 98.51 ± 0.05°
• Cell volume: 1010.2 ± 0.9 ų
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No