Information card for entry 2201991

Structure parameters

• Common name: 1,4-diphenyl-2,3-di-3-thienylcyclopentadienone
• Formula: C25 H16 O S2
• Calculated formula: C25.0088 H16 O S2.0022
• SMILES: O=C1C(=C(C(=C1c1ccccc1)c1cscc1)c1cscc1)c1ccccc1
• Title of publication: 1,4-Diphenyl-2,3-dithien-3-ylcyclopentadien-1-one
• Authors of publication: Linehan, Justin; Crundwell, Guy; Herron, Steven R.; Kantardjieff, Katherine A.
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2003
• Journal volume: 59
• Pages of publication: o466 - o468
• a: 21.2902 ± 0.0019 Å
• b: 10.4773 ± 0.0009 Å
• c: 8.8835 ± 0.0008 Å
• α: 90°
• β: 94.325 ± 0.003°
• γ: 90°
• Cell volume: 1975.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No