Information card for entry 2006348

Structure parameters

• Chemical name: 1-[2-(napthylenyl)]-3-(4-chlorophenyl)-2-propen-1-one
• Formula: C19 H13 Cl O
• Calculated formula: C19 H13 Cl O
• SMILES: c1c(ccc2ccccc12)C(=O)/C=C/c1ccc(cc1)Cl
• Title of publication: 3-(4-Chlorophenyl)-1-(2-naphthyl)prop-2-enone
• Authors of publication: S.Shanmuga Sundara Raj; M.N.Ponnuswamy; G.Shanmugam; S.Nanjundan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 917 - 918
• a: 5.911 ± 0.004 Å
• b: 7.474 ± 0.003 Å
• c: 16.366 ± 0.003 Å
• α: 100.55 ± 0.03°
• β: 91.9 ± 0.03°
• γ: 91.62 ± 0.04°
• Cell volume: 710 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections: 0.173
• Weighted residual factors for significantly intense reflections: 0.1652
• Goodness-of-fit parameter for all reflections: 1.066
• Goodness-of-fit parameter for significantly intense reflections: 1.108
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No