Information card for entry 1533376

Structure parameters

• Chemical name: saccharothrixone D
• Formula: C25.5 H28 O12.5
• Calculated formula: C25.67 H24.83 O12.33
• SMILES: O(C1=CC(=O)[C@H](OC)[C@@]2(O)C(=O)c3cc4c(c(O)c3C(=O)[C@@]12O)c(C)c(c(OC)c4)C(=O)OC)C.OC.OC
• Title of publication: Saccharothrixones A-D, Tetracenomycin-Type Polyketides from the Marine-Derived Actinomycete Saccharothrix sp. 10-10.
• Authors of publication: Gan, Maoluo; Liu, Bin; Tan, Yi; Wang, Qiang; Zhou, Hongxia; He, Hongwei; Ping, Yuhui; Yang, Zhaoyong; Wang, Yiguang; Xiao, Chunling
• Journal of publication: Journal of natural products
• Year of publication: 2015
• Journal volume: 78
• Journal issue: 9
• Pages of publication: 2260 - 2265
• a: 15.0788 ± 0.0004 Å
• b: 17.5135 ± 0.0004 Å
• c: 19.2065 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5072.1 ± 0.2 ų
• Cell temperature: 124 ± 2 K
• Ambient diffraction temperature: 124 ± 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: 0.0673
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1677
• Weighted residual factors for all reflections included in the refinement: 0.1713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No