Information card for entry 2228456

Structure parameters

• Common name: ?-mangostin
• Chemical name: 1,3,6-Trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)-9<i>H</i>-xanthen-9-one
• Formula: C24 H26 O6
• Calculated formula: C24 H26 O6
• SMILES: O1c2c(C(=O)c3c1cc(O)c(c3CC=C(C)C)OC)c(O)c(CC=C(C)C)c(c2)O
• Title of publication: 1,3,6-Trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)-9<i>H</i>-xanthen-9-one
• Authors of publication: Ee, Gwendoline Cheng Lian; Sim, Wei Chung; Kwong, Huey Chong; Mohamed Tahir, Mohamed Ibrahim; Silong, Sidik
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3362 - o3363
• a: 14.6818 ± 0.0003 Å
• b: 9.53505 ± 0.00019 Å
• c: 29.8893 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4184.25 ± 0.15 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for all reflections: 0.113
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8745
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes