Information card for entry 2228106

Structure parameters

• Chemical name: Ethyl 4-(2,4-dichlorophenyl)-6-(6-methoxy-2-naphthyl)-2-oxocyclohex-3-ene- 1-carboxylate
• Formula: C26 H22 Cl2 O4
• Calculated formula: C26 H22 Cl2 O4
• SMILES: c1(cc(c(cc1)C1=CC(=O)[C@H]([C@@H](C1)c1ccc2cc(ccc2c1)OC)C(=O)OCC)Cl)Cl.c1(cc(c(cc1)C1=CC(=O)[C@@H]([C@H](C1)c1ccc2cc(ccc2c1)OC)C(=O)OCC)Cl)Cl
• Title of publication: Ethyl 4-(2,4-dichlorophenyl)-6-(6-methoxy-2-naphthyl)-2-oxocyclohex-3-ene-1-carboxylate
• Authors of publication: Harrison, William T. A.; Mayekar, A. N.; Yathirajan, H. S.; Narayana, B.; Sarojini, B. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2478
• a: 14.2156 ± 0.0004 Å
• b: 5.8647 ± 0.0002 Å
• c: 27.3752 ± 0.0009 Å
• α: 90°
• β: 94.84 ± 0.002°
• γ: 90°
• Cell volume: 2274.14 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1176
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes