Information card for entry 2236895

Structure parameters

• Chemical name: 4-[(3<i>R</i>)-8,8-dimethyl-3,4-dihydro-2<i>H</i>-pyrano[2,3-<i>f</i>]chromen- 3-yl]benzene-1,3-diol
• Formula: C20 H20 O4
• Calculated formula: C20 H20 O4
• SMILES: O1C(C=Cc2c1ccc1c2OC[C@H](C1)c1c(cc(cc1)O)O)(C)C
• Title of publication: Glabridin
• Authors of publication: Tantishaiyakul, Vimon; Suknuntha, Krit; Saithong, Saowanit; Pakawatchai, Chaveng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3501
• a: 6.4301 ± 0.0004 Å
• b: 12.0307 ± 0.0007 Å
• c: 21.069 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1629.87 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes