Information card for entry 1565522

Structure parameters

• Chemical name: At2911_Re_016_B3_B4
• Formula: C19 H22 O7
• Calculated formula: C19 H22 O7
• SMILES: Oc1c2C(=O)[C@@]3(O)CC[C@]4(O)CC(=C[C@@H](O)[C@@H]4[C@]3(O)[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: 9.6584 ± 0.0008 Å
• b: 8.5478 ± 0.0007 Å
• c: 9.765 ± 0.0007 Å
• α: 90°
• β: 96.202 ± 0.003°
• γ: 90°
• Cell volume: 801.46 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• 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