Information card for entry 2213027

Structure parameters

• Common name: 8-Methyleugenitin
• Chemical name: 5-Hydroxy-7-methoxy-2,6,8-trimethyl-4H-chromen-4-one
• Formula: C13 H14 O4
• Calculated formula: C13 H14 O4
• SMILES: O(c1c(c(O)c2c(=O)cc(oc2c1C)C)C)C
• Title of publication: 5-Hydroxy-7-methoxy-2,6,8-trimethyl-4<i>H</i>-chromen-4-one
• Authors of publication: Hoong-Kun Fun; Kan Chantrapromma; Yupparase Pullaput; Nawong Boonnak; Suchada Chantrapromma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o2017 - o2019
• a: 8.0816 ± 0.0002 Å
• b: 8.6719 ± 0.0002 Å
• c: 15.8187 ± 0.0004 Å
• α: 90°
• β: 91.301 ± 0.001°
• γ: 90°
• Cell volume: 1108.33 ± 0.05 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: 0.0421
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes