Information card for entry 2221535

Structure parameters

• Chemical name: (<i>E</i>)-3-(4-Decyloxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
• Formula: C25 H32 O3
• Calculated formula: C25 H32 O3
• SMILES: Oc1ccccc1C(=O)/C=C/c1ccc(OCCCCCCCCCC)cc1
• Title of publication: (<i>E</i>)-3-(4-Decyloxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
• Authors of publication: Ngaini, Zainab; Rahman, Norashikin Irdawaty Abd; Hussain, Hasnain; Razak, Ibrahim Abdul; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o889 - o890
• a: 21.27 ± 0.0004 Å
• b: 7.6779 ± 0.0002 Å
• c: 13.233 ± 0.0003 Å
• α: 90°
• β: 101.72 ± 0.001°
• γ: 90°
• Cell volume: 2116.01 ± 0.08 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: 0.101
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes