Information card for entry 2228364

Structure parameters

• Chemical name: (<i>E</i>)-1-[4-(Hexyloxy)phenyl]-3-(3-hydroxyphenyl)prop-2-en-1-one
• Formula: C21 H24 O3
• Calculated formula: C21 H24 O3
• SMILES: CCCCCCOc1ccc(cc1)C(=O)/C=C/c1cccc(c1)O
• Title of publication: (<i>E</i>)-1-[4-(Hexyloxy)phenyl]-3-(3-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: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3275 - o3276
• a: 7.6053 ± 0.0003 Å
• b: 13.7328 ± 0.0005 Å
• c: 17.3769 ± 0.0007 Å
• α: 105.226 ± 0.002°
• β: 93.74 ± 0.002°
• γ: 93.038 ± 0.002°
• Cell volume: 1742.8 ± 0.12 ų
• Cell temperature: 100 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: 0.1035
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes