Information card for entry 2006234

Structure parameters

• Common name: onysilin
• Chemical name: 2,3-dihydro-5-hydroxy-6,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one
• Formula: C17 H16 O5
• Calculated formula: C17 H16 O5
• SMILES: O1C(CC(=O)c2c(O)c(OC)c(OC)cc12)c1ccccc1
• Title of publication: 2,3-Dihydro-5-hydroxy-6,7-dimethoxy-2-phenyl-4<i>H</i>-1-benzopyran-4-one (Onysilin)
• Authors of publication: Chantrapromma, Kan; Seechamnanturakit, Vatcharee; Ponglimanont, Chanita; Pakawatchai, Chaveng; Fun, Hoong-Kun; Sivakumar, Kandasamy
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 734 - 736
• a: 9.722 ± 0.003 Å
• b: 7.475 ± 0.002 Å
• c: 20.255 ± 0.005 Å
• α: 90°
• β: 99.75 ± 0.01°
• γ: 90°
• Cell volume: 1450.7 ± 0.7 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections: 0.1655
• Weighted residual factors for significantly intense reflections: 0.1516
• Goodness-of-fit parameter for all reflections: 1.086
• Goodness-of-fit parameter for significantly intense reflections: 1.202
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No