Information card for entry 1565521

Structure parameters

• Chemical name: AT2911_Re_A1
• Formula: C19 H18 O5
• Calculated formula: C19 H18 O5
• SMILES: Oc1c2C(=O)C3=C(C(=O)c2ccc1)[C@H]1[C@H](O)C=C(C[C@@]1(O)CC3)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: 15.0046 ± 0.0003 Å
• b: 30.297 ± 0.0005 Å
• c: 6.7685 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3076.92 ± 0.09 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• 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