Information card for entry 2212284

Structure parameters

• Chemical name: (2E)-1-(2,4-Dichlorophenyl)-3-(6-methoxy-2-naphthyl)prop-2-en-1-one
• Formula: C20 H14 Cl2 O2
• Calculated formula: C20 H14 Cl2 O2
• SMILES: Clc1c(C(=O)/C=C/c2ccc3c(c2)ccc(OC)c3)ccc(Cl)c1
• Title of publication: (2<i>E</i>)-1-(2,4-Dichlorophenyl)-3-(6-methoxy-2-naphthyl)prop-2-en-1-one
• Authors of publication: Yathirajan, H. S.; Mayekar, A. N.; Narayana, B.; Sarojini; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o540 - o541
• a: 16.8724 ± 0.0007 Å
• b: 13.461 ± 0.0007 Å
• c: 7.4932 ± 0.0003 Å
• α: 90°
• β: 102.778 ± 0.003°
• γ: 90°
• Cell volume: 1659.7 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0353
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes