Information card for entry 2236601

Structure parameters

• Chemical name: (<i>E</i>)-1-(3-Hydroxyphenyl)-3-[4-(tetradecyloxy)phenyl]prop-2-en-1-one
• Formula: C29 H40 O3
• Calculated formula: C29 H40 O3
• SMILES: Oc1cccc(c1)C(=O)/C=C/c1ccc(OCCCCCCCCCCCCCC)cc1
• Title of publication: (<i>E</i>)-1-(3-Hydroxyphenyl)-3-[4-(tetradecyloxy)phenyl]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: o2911 - o2912
• a: 6.5138 ± 0.0016 Å
• b: 10.155 ± 0.002 Å
• c: 19.264 ± 0.005 Å
• α: 75.361 ± 0.006°
• β: 85.872 ± 0.007°
• γ: 83.013 ± 0.006°
• Cell volume: 1222.6 ± 0.5 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: 0.0714
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes