Information card for entry 2222169

Structure parameters

• Chemical name: (<i>E</i>)-3-[4-(Hexyloxy)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
• Formula: C21 H24 O3
• Calculated formula: C21 H24 O3
• SMILES: Oc1ccc(cc1)C(=O)/C=C/c1ccc(OCCCCCC)cc1
• Title of publication: (<i>E</i>)-3-[4-(Hexyloxy)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
• Authors of publication: Razak, Ibrahim Abdul; Fun, Hoong-Kun; Ngaini, Zainab; Rahman, Norashikin Irdawaty Abd; Hussain, Hasnain
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1439 - o1440
• a: 10.0237 ± 0.0002 Å
• b: 9.7695 ± 0.0002 Å
• c: 35.322 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3458.96 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.137
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes