Information card for entry 1562347

Structure parameters

• Chemical name: NATPP0083
• Formula: C34 H42 O12
• Calculated formula: C34 H42 O12
• SMILES: c1(c(c(cc2O[C@]3([C@H](O)[C@H](CC=C3C(=O)c12)OC)C)C)c1c(O)c2C(=O)C3=CC[C@@H]([C@@H](O)[C@@]3(Oc2cc1C)C)OC)O.CO.CO
• Title of publication: Bioactive Dimeric Tetrahydroxanthones with 2,2'- and 4,4'-Axial Linkages from the Entomopathogenic Fungus <i>Aschersonia confluens</i>.
• Authors of publication: Sadorn, Karoon; Saepua, Siriporn; Boonyuen, Nattawut; Choowong, Wilunda; Rachtawee, Pranee; Pittayakhajonwut, Pattama
• Journal of publication: Journal of natural products
• Year of publication: 2021
• Journal volume: 84
• Journal issue: 4
• Pages of publication: 1149 - 1162
• a: 24.152 ± 0.004 Å
• b: 9.2708 ± 0.0016 Å
• c: 6.9096 ± 0.0011 Å
• α: 90°
• β: 94.898 ± 0.005°
• γ: 90°
• Cell volume: 1541.5 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No