Information card for entry 2236897

Structure parameters

• Chemical name: 3-(4-Methoxyphenyl)-6,7-dihydro-1<i>H</i>-furo[3,4-<i>c</i>]pyran-4(3<i>H</i>) -one
• Formula: C14 H14 O4
• Calculated formula: C14 H14 O4
• SMILES: O=C1OCCC2=C1C(OC2)c1ccc(OC)cc1
• Title of publication: 3-(4-Methoxyphenyl)-6,7-dihydro-1<i>H</i>-furo[3,4-<i>c</i>]pyran-4(3<i>H</i>)-one
• Authors of publication: Zhang, Jingyi; An, Ye; Zhang, Yikai; Shi, Guobing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3451
• a: 7.24 ± 0.003 Å
• b: 8.635 ± 0.004 Å
• c: 19.545 ± 0.008 Å
• α: 90°
• β: 97.352 ± 0.006°
• γ: 90°
• Cell volume: 1211.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0907
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.2109
• Weighted residual factors for all reflections included in the refinement: 0.2265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes