Information card for entry 2101085

Structure parameters

• Formula: C42 H40 O8 S6
• Calculated formula: C46 H50 O10 S6
• Title of publication: On the crystal structures of two inclusion compounds of tris(5-acetyl-3-thienyl)methane
• Authors of publication: Marsh, R. E.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 1
• Pages of publication: 112 - 116
• a: 12.329 ± 0.005 Å
• b: 11.229 ± 0.005 Å
• c: 8.229 ± 0.005 Å
• α: 98.42 ± 0.05°
• β: 106.43 ± 0.05°
• γ: 99.05 ± 0.05°
• Cell volume: 1057 ± 1 ų
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No