Information card for entry 2225117

Structure parameters

• Common name: (<i>Z</i>)-3-(anthracen-9-yl)-1-(2-thienyl)prop-2-en-1-one
• 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: s1c(C(=O)/C=C\c2c3ccccc3cc3ccccc23)ccc1
• Title of publication: A second orthorhombic polymorph of (<i>Z</i>)-3-(9-anthryl)-1-(2-thienyl)prop-2-en-1-one
• Authors of publication: Chantrapromma, Suchada; Suwunwong, Thitipone; Boonnak, Nawong; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o312 - o313
• a: 5.5116 ± 0.0001 Å
• b: 14.8497 ± 0.0002 Å
• c: 18.3625 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1502.89 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes