Information card for entry 2236449

Structure parameters

• Chemical name: (<i>E</i>)-1-(4-Decyloxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
• Formula: C25 H32 O3
• Calculated formula: C25 H32 O3
• SMILES: Oc1ccccc1/C=C/C(=O)c1ccc(OCCCCCCCCCC)cc1
• Title of publication: (<i>E</i>)-1-(4-Decyloxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
• Authors of publication: Ngaini, Zainab; Fadzillah, Siti Muhaini Haris; Hussain, Hasnain; Razak, Ibrahim Abdul; Asik, Safra Izuani Jama
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2935 - o2936
• a: 8.6674 ± 0.0013 Å
• b: 10.9865 ± 0.0017 Å
• c: 12.1352 ± 0.0019 Å
• α: 74.405 ± 0.003°
• β: 72.891 ± 0.003°
• γ: 85.981 ± 0.004°
• Cell volume: 1063.7 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.1602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes