Information card for entry 2228705

Structure parameters

• Chemical name: (<i>E</i>)-1-[4-(hexyloxy)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
• Formula: C21 H24 O3
• Calculated formula: C21 H24 O3
• SMILES: O=C(/C=C/c1ccc(O)cc1)c1ccc(OCCCCCC)cc1
• Title of publication: (<i>E</i>)-1-[4-(Hexyloxy)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
• Authors of publication: Ngaini, Zainab; Fadzillah, Siti Muhaini Haris; Hussain, Hasnain; Razak, Ibrahim Abdul; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o169 - o170
• a: 10.2807 ± 0.0002 Å
• b: 16.6322 ± 0.0002 Å
• c: 11.4736 ± 0.0002 Å
• α: 90°
• β: 113.439 ± 0.001°
• γ: 90°
• Cell volume: 1799.99 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0606
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes