Information card for entry 7102666

Structure parameters

• Common name: Tris(5-acetyl-3-thienyl)methane (TATM)
• Chemical name: Tris(5-acetyl-3-thienyl)methane (TATM)
• Formula: C19 H20 O5 S3
• Calculated formula: C19 H20 O5 S3
• Title of publication: Water and tris(5-acetyl-3-thienyl)methane (TATM) assemble into a one-dimensional channel compound.
• Authors of publication: Sidhu, Paul S; Udachin, Konstantin A; Ripmeester, John A
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 12
• Pages of publication: 1358 - 1359
• a: 8.7607 ± 0.0013 Å
• b: 10.7929 ± 0.0015 Å
• c: 21.794 ± 0.003 Å
• α: 88.98 ± 0.003°
• β: 89.572 ± 0.003°
• γ: 80.703 ± 0.003°
• Cell volume: 2033.3 ± 0.5 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
• Residual factor for all reflections: 0.1206
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.1827
• Weighted residual factors for all reflections included in the refinement: 0.2057
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No