Information card for entry 4322211

Structure parameters

• Formula: C53 H45 Cu O5 P2
• Calculated formula: C53 H45 Cu O5 P2
• SMILES: [Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[O]=C(O1)c1c(OC(=O)c2ccccc2)cccc1.O=C(C)C
• Title of publication: Quercetin 2,3-Dioxygenase Mimicking Ring Cleavage of the Flavonolate Ligand Assisted by Copper. Synthesis and Characterization of Copper(I) Complexes [Cu(PPh~3~)~2~(fla)] (fla = Flavonolate) and [Cu(PPh~3~)~2~(O-bs)] (O-bs = O-Benzoylsalicylate)
• Authors of publication: Éva Balogh-Hergovich; József Kaizer; Gábor Speier; Vilmos Fülöp; László Párkányi
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 3787 - 3795
• a: 13.154 ± 0.001 Å
• b: 17.991 ± 0.001 Å
• c: 20.495 ± 0.001 Å
• α: 80.01 ± 0.01°
• β: 88.02 ± 0.01°
• γ: 71.83 ± 0.01°
• Cell volume: 4537.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections: 0.1331
• Weighted residual factors for significantly intense reflections: 0.1167
• Goodness-of-fit parameter for all reflections: 1.047
• Goodness-of-fit parameter for significantly intense reflections: 1.074
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No