Information card for entry 2223209

Structure parameters

• Chemical name: (<i>Z</i>)-3-(9-Anthryl)-1-(2-thienyl)prop-2-en-1-one
• Formula: C21 H14 O S
• Calculated formula: C21 H14 O S
• SMILES: O=C(c1cccs1)/C=C\c1c2ccccc2cc2c1cccc2
• Title of publication: (<i>Z</i>)-3-(9-Anthryl)-1-(2-thienyl)prop-2-en-1-one
• Authors of publication: Fun, Hoong-Kun; Suwunwong, Thitipone; Boonnak, Nawong; Chantrapromma, Suchada
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2168 - o2169
• a: 14.6675 ± 0.0002 Å
• b: 5.5096 ± 0.0001 Å
• c: 37.9823 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3069.43 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.179
• Weighted residual factors for all reflections included in the refinement: 0.2
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes