Information card for entry 1546019

Structure parameters

• Formula: C30 H38 O8
• Calculated formula: C30 H38 O8
• SMILES: Oc1cc(OC)c(c2O[C@@]34[C@]56OC([C@H]4C[C@@H]([C@@]45O[C@H](C6)C(O4)(C)C)[C@@H](OC)[C@@H]3C(=O)c12)(C)C)C(C=C)(C)C
• Title of publication: Scalemic Caged Xanthones Isolated from the Stem Bark Extract of Garcinia propinqua.
• Authors of publication: Sriyatep, Teerayut; Andersen, Raymond J.; Patrick, Brian O.; Pyne, Stephen G.; Muanprasat, Chatchai; Seemakhan, Sawinee; Borwornpinyo, Suparerk; Laphookhieo, Surat
• Journal of publication: Journal of natural products
• Year of publication: 2017
• Journal volume: 80
• Journal issue: 5
• Pages of publication: 1658 - 1667
• a: 9.2535 ± 0.0002 Å
• b: 11.5385 ± 0.0003 Å
• c: 24.9217 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2660.93 ± 0.12 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No