Information card for entry 7204355

Structure parameters

• Formula: C21 H18 O8
• Calculated formula: C21 H18 O8
• SMILES: O=C1C(C(C)=O)=C(O)[C@H](OC)[C@H]2Cc3cc4cccc(O)c4c(O)c3C(=O)[C@@]12O
• Title of publication: Hybrid compounds generated by the introduction of a nogalamycin-producing plasmid into Streptomyces argillaceus
• Authors of publication: Tero Kunnari; Karel D. Klika; Gloria Blanco; Carmen Méndez; Pekka Mäntsälä; Juha Hakala; Reijo Sillanpää; Petri Tähtinen; Jose Salas; Kristiina Ylihonko
• Journal of publication: J. Chem. Soc., Perkin Trans. 1
• Year of publication: 2002
• Journal issue: 15
• Pages of publication: 1818 - 1825
• a: 5.1675 ± 0.0002 Å
• b: 10.5383 ± 0.0006 Å
• c: 16.2748 ± 0.0009 Å
• α: 90°
• β: 98.367 ± 0.002°
• γ: 90°
• Cell volume: 876.84 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1416
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No