Information card for entry 2218639

Structure parameters

• Chemical name: 6-[(<i>E</i>)-3,7-Dimethylocta-2,6-dienyl]-5,7-dihydroxy-8-(2-methylbutanoyl)- 4-phenyl-2<i>H</i>-chromen-2-one
• Formula: C30 H34 O5
• Calculated formula: C30 H34 O5
• SMILES: o1c(=O)cc(c2ccccc2)c2c1c(c(O)c(c2O)C/C=C(\C)CCC=C(C)C)C(=O)[C@@H](C)CC
• Title of publication: 6-[(<i>E</i>)-3,7-Dimethylocta-2,6-dienyl]-5,7-dihydroxy-8-(2-methylbutanoyl)-4-phenyl-2<i>H</i>-chromen-2-one from <i>Mesua kunstleri</i> King (Kosterm)
• Authors of publication: Chan, Gomathi; Awang, Khalijah; A. Hadi, A. Hamid; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1332
• a: 5.6729 ± 0.0001 Å
• b: 13.435 ± 0.0003 Å
• c: 16.8404 ± 0.0003 Å
• α: 87.55 ± 0.001°
• β: 82.243 ± 0.001°
• γ: 85.332 ± 0.001°
• Cell volume: 1266.88 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0945
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1828
• Weighted residual factors for all reflections included in the refinement: 0.2101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes