Information card for entry 2239905

Structure parameters

• Chemical name: 3-[4-(1-Methylethyl)phenyl]-1-(naphthalen-2-yl)prop-2-en-1-one
• Formula: C22 H20 O
• Calculated formula: C22 H20 O
• SMILES: O=C(/C=C/c1ccc(C(C)C)cc1)c1cc2ccccc2cc1
• Title of publication: Crystal structure of 3-[4-(1-methylethyl)phenyl]-1-(naphthalen-2-yl)prop-2-en-1-one
• Authors of publication: Assia, Sid; Amel, Messai; Nouara, Ziani; Mahieddine, Mokhtari; Kaddour, Lamara
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 9
• Pages of publication: o1009 - o1010
• a: 5.8326 ± 0.0002 Å
• b: 17.8578 ± 0.0006 Å
• c: 15.6469 ± 0.0005 Å
• α: 90°
• β: 91.136 ± 0.003°
• γ: 90°
• Cell volume: 1629.42 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• 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: 0.0375
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes