Information card for entry 2236280

Structure parameters

• Chemical name: (<i>E</i>)-1-[4-(Hexyloxy)phenyl]-3-(2-hydroxyphenyl)prop-2-en-1-one
• Formula: C21 H24 O3
• Calculated formula: C21 H24 O3
• SMILES: O=C(/C=C/c1ccccc1O)c1ccc(OCCCCCC)cc1
• Title of publication: (<i>E</i>)-1-[4-(Hexyloxy)phenyl]-3-(2-hydroxyphenyl)prop-2-en-1-one
• Authors of publication: Fadzillah, Siti Muhaini Haris; Ngaini, Zainab; 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: o2909
• a: 7.485 ± 0.002 Å
• b: 10.834 ± 0.003 Å
• c: 11.673 ± 0.003 Å
• α: 73.858 ± 0.005°
• β: 77.961 ± 0.006°
• γ: 76.941 ± 0.006°
• Cell volume: 874.9 ± 0.4 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: 0.0513
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes