Information card for entry 2222455

Structure parameters

• Chemical name: Ethyl 6-(6-methoxy-2-naphthyl)-2-oxo-4-(2-thienyl)cyclohex-3-ene-1-carboxylate
• Formula: C24 H22 O4 S
• Calculated formula: C24 H22 O4 S
• SMILES: CCOC(=O)C1C(=O)C=C(CC1c1ccc2c(c1)ccc(c2)OC)c1cccs1
• Title of publication: Ethyl 6-(6-methoxy-2-naphthyl)-2-oxo-4-(2-thienyl)cyclohex-3-ene-1-carboxylate
• Authors of publication: Li, Hongqi; Mayekar, Anil N.; Narayana, B.; Yathirajan, H. S.; Harrison, W. T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1533
• a: 18.2501 ± 0.0004 Å
• b: 11.7176 ± 0.0002 Å
• c: 9.6846 ± 0.0002 Å
• α: 90°
• β: 93.048 ± 0.001°
• γ: 90°
• Cell volume: 2068.1 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1789
• Weighted residual factors for all reflections included in the refinement: 0.2016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes