Information card for entry 1565519

Structure parameters

• Chemical name: AT2911_A_LT
• Formula: C19 H20 O6
• Calculated formula: C19 H20 O6
• SMILES: O1[C@@H]2[C@@H]3[C@@]4(O)[C@@]1(C(=O)c1c(cccc1O)[C@@H]4O)CC[C@]3(O)CC(=C2)C
• Title of publication: Antimicrobial and Cytotoxic Angucyclic Quinones from <i>Actinomadura miaoliensis</i>.
• Authors of publication: Saepua, Siriporn; Kornsakulkarn, Jittra; Choowong, Wilunda; Suriyachadkun, Chanwit; Boonlarppradab, Chollaratt; Thongpanchang, Chawanee
• Journal of publication: Journal of natural products
• Year of publication: 2021
• Journal volume: 84
• Journal issue: 11
• Pages of publication: 2775 - 2785
• a: 6.8062 ± 0.0006 Å
• b: 11.6371 ± 0.001 Å
• c: 19.7825 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1566.9 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0254
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• 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