Information card for entry 2005440

Structure parameters

• Formula: C19 H13 Cl O
• Calculated formula: C19 H13 Cl O
• SMILES: c1c(ccc2ccccc12)C(=O)/C=C/c1ccccc1Cl
• Title of publication: 3-(2-Chlorophenyl)-1-(2-naphthyl)-2-propen-1-one
• Authors of publication: Kumaran, D.; Eswaramoorthy, S.; Ponnuswamy, M. N.; Raju, K. S.; Nanjundan, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 10
• Pages of publication: 2543 - 2545
• a: 10.71 ± 0.001 Å
• b: 16.485 ± 0.002 Å
• c: 9.124 ± 0.001 Å
• α: 90°
• β: 113.59 ± 0.01°
• γ: 90°
• Cell volume: 1476.3 ± 0.3 ų
• Cell temperature: 293 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 significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.076
• Goodness-of-fit parameter for significantly intense reflections: 1.3
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No