Information card for entry 1515693

Structure parameters

• Formula: C28 H36 N2 O12 Zn
• Calculated formula: C28 H36 N2 O12 Zn
• SMILES: [Zn]12([O]=C(C3CN(Cc4ccccc4)C(=O)C=3O2)OCC)([O]=C(C2CN(Cc3ccccc3)C(=O)C=2O1)OCC)([OH2])[OH2].O.O
• Title of publication: Synthesis and in vitro insulin-mimetic activities of zinc(ii) complexes of ethyl 2,5-dihydro-4-hydroxy-5-oxo-1H-pyrrole-3-carboxylates.
• Authors of publication: Kawarada, Hikaru; Yoshikawa, Yutaka; Yasui, Hiroyuki; Kuwahara, Shunsuke; Habata, Yoichi; Saito, Ryota
• Journal of publication: Metallomics : integrated biometal science
• Year of publication: 2011
• Journal volume: 3
• Journal issue: 7
• Pages of publication: 675 - 679
• a: 11.8469 ± 0.0007 Å
• b: 8.7118 ± 0.0005 Å
• c: 28.9529 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2988.2 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No