Information card for entry 2221761

Structure parameters

• Chemical name: (<i>E</i>)-3-[4-(Dodecyloxy)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one
• Formula: C27 H36 O3
• Calculated formula: C27 H36 O3
• SMILES: CCCCCCCCCCCCOc1ccc(cc1)/C=C/C(=O)c1ccccc1O
• Title of publication: (<i>E</i>)-3-[4-(Dodecyloxy)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one
• Authors of publication: Razak, Ibrahim Abdul; Fun, Hoong-Kun; Ngaini, Zainab; Fadzillah, Siti Muhaini Haris; Hussain, Hasnain
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1133 - o1134
• a: 7.4953 ± 0.0006 Å
• b: 13.4714 ± 0.0009 Å
• c: 23.7874 ± 0.0018 Å
• α: 75.116 ± 0.004°
• β: 83.876 ± 0.005°
• γ: 84.669 ± 0.005°
• Cell volume: 2302.7 ± 0.3 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: 0.1411
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1559
• Weighted residual factors for all reflections included in the refinement: 0.2059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes