Information card for entry 7100341

Structure parameters

• Common name: TATM
• Formula: C38 H32 O6 S6
• Calculated formula: C38 H32 O6 S6
• SMILES: s1c(cc(C(c2cc(sc2)C(=O)C)c2cc(sc2)C(=O)C)c1)C(=O)C
• Title of publication: The first example of a crystalline guest-free form of the tris(5-acetyl-3-thienyl) methane (TATM) host material.
• Authors of publication: John Ripmeester; Gary D. Enright; Paul S. Sidhu; Konstantin A. Udachin
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 10.5004 ± 0.0012 Å
• b: 12.53 ± 0.0015 Å
• c: 14.8353 ± 0.0017 Å
• α: 82.316 ± 0.002°
• β: 72.311 ± 0.002°
• γ: 88.529 ± 0.002°
• Cell volume: 1842.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No