Information card for entry 2207500

Structure parameters

• Common name: Smeathxanthone A
• Chemical name: 2-(3,7-Dimethylocta-2,6-dienyl)-1,3,5,8-tetrahydroxyxanthone
• Formula: C23 H24 O6
• Calculated formula: C23 H24 O6
• SMILES: Oc1c(c(O)cc2Oc3c(O)ccc(O)c3C(=O)c12)C\C=C(CCC=C(C)C)/C
• Title of publication: 2-(3,7-Dimethylocta-2,6-dienyl)-1,3,5,8-tetrahydroxyxanthone
• Authors of publication: M. Iqbal Choudhary; Rasheeda Swaleh; Shazia Anjum; Alain Meli Lannang; Shamsher Ali; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4313 - o4315
• a: 7.1217 ± 0.0013 Å
• b: 7.3672 ± 0.0014 Å
• c: 18.959 ± 0.003 Å
• α: 98.319 ± 0.003°
• β: 92.196 ± 0.003°
• γ: 100.566 ± 0.003°
• Cell volume: 965.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0687
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1482
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes