Information card for entry 2209008

Structure parameters

• Common name: pinnatin
• Chemical name: 4-Methoxy-7-phenyl-6,7-dihydrofuro[3,2-g]chromen-5-one
• Formula: C18 H12 O4
• Calculated formula: C18 H12 O4
• SMILES: o1c(cc(=O)c2c(OC)c3ccoc3cc12)c1ccccc1
• Title of publication: 4-Methoxy-7-phenyl-6,7-dihydrofuro[3,2-<i>g</i>]chromen-5-one
• Authors of publication: Suchada Chantrapromma; Hoong-Kun Fun; Sorwaporn Koysomboon; Kan Chantrapromma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o1984 - o1986
• a: 8.6174 ± 0.0001 Å
• b: 15.5622 ± 0.0003 Å
• c: 9.8634 ± 0.0001 Å
• α: 90°
• β: 96.945 ± 0.001°
• γ: 90°
• Cell volume: 1313.03 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 297 ± 2 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: 0.0745
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes