Information card for entry 7209511

Structure parameters

• Chemical name: (E)-1-(4-(benzyloxy)phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
• Formula: C22 H18 O3
• Calculated formula: C22 H18 O3
• SMILES: c1ccccc1COc1ccc(cc1)C(=O)/C=C/c1ccc(cc1)O
• Title of publication: Synthesis, single crystal growth, characterization and comparison of two new enone shifted chalcones and their NLO behaviour
• Authors of publication: Ramkumar, V.; Anandhi, S.; Kannan, P.; Gopalakrishnan, R.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 13
• Pages of publication: 2438
• a: 18.981 ± 0.0006 Å
• b: 7.5355 ± 0.0003 Å
• c: 24.6569 ± 0.0007 Å
• α: 90°
• β: 105.108 ± 0.002°
• γ: 90°
• Cell volume: 3404.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No