Information card for entry 2225908

Structure parameters

• Chemical name: 1-(2,6-Dihydroxy-4-methoxyphenyl)-3-phenylpropan-1-one
• Formula: C16 H16 O4
• Calculated formula: C16 H16 O4
• SMILES: O=C(c1c(O)cc(OC)cc1O)CCc1ccccc1
• Title of publication: 1-(2,6-Dihydroxy-4-methoxyphenyl)-3-phenylpropan-1-one
• Authors of publication: Chantrapromma, Suchada; Jeerapong, Jutatip; Kruahong, Thongchai; Laphookhieo, Surat; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1120 - o1121
• a: 7.2142 ± 0.0006 Å
• b: 30.522 ± 0.002 Å
• c: 6.5587 ± 0.0005 Å
• α: 90°
• β: 107.267 ± 0.002°
• γ: 90°
• Cell volume: 1379.09 ± 0.18 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes