Information card for entry 1565520

Structure parameters

• Chemical name: AT2911_B6
• Formula: C19 H20 O5
• Calculated formula: C19 H20 O5
• SMILES: Oc1c2C(=O)[C@H]3CC[C@]4(O)CC(=CC(=O)[C@@H]4[C@@H]3[C@@H](O)c2ccc1)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: 7.9241 ± 0.0006 Å
• b: 9.6917 ± 0.0006 Å
• c: 20.1875 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1550.36 ± 0.19 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: 0.0346
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• 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