Information card for entry 2234209

Structure parameters

• Chemical name: 6-[(2<i>E</i>)-3,7-Dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-8-(2- methylbutanoyl)-4-phenyl-2<i>H</i>-chromen-2-one‒6-[(2<i>E</i>)-3,7- dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-8-(3-methylbutanoyl)-4-phenyl- 2<i>H</i>-chromen-2-one (1/1)
• Formula: C60 H68 O10
• Calculated formula: C60 H68 O10
• Title of publication: 6-[(2<i>E</i>)-3,7-Dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-8-(2-methylbutanoyl)-4-phenyl-2<i>H</i>-chromen-2-one‒6-[(2<i>E</i>)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-8-(3-methylbutanoyl)-4-phenyl-2<i>H</i>-chromen-2-one (1/1) from <i>Mesua elegans</i>
• Authors of publication: Chan, Gomathi; Awang, Khalijah; Ismail, Nor Hadiani; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o939 - o940
• a: 5.9426 ± 0.0002 Å
• b: 13.4688 ± 0.0005 Å
• c: 16.3275 ± 0.0006 Å
• α: 91.955 ± 0.003°
• β: 99.515 ± 0.003°
• γ: 95.834 ± 0.003°
• Cell volume: 1280.47 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1971
• Weighted residual factors for all reflections included in the refinement: 0.2083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes