Information card for entry 7003487

Structure parameters

• Formula: C20 H26 O4
• Calculated formula: C20 H26 O4
• SMILES: CC(C)(C)C(=C\C(=O)c1ccc(C(=O)/C=C(/C(C)(C)C)O)cc1)\O
• Title of publication: Synthetic, structural, electrochemical and solvent extraction studies of neutral trinuclear Co(ii), Ni(ii), Cu(ii) and Zn(ii) metallocycles and tetrahedral tetranuclear Fe(iii) species incorporating 1,4-aryl-linked bis-β-diketonato ligands
• Authors of publication: Clegg, Jack K.; Bray, David J.; Gloe, Kerstin; Gloe, Karsten; Jolliffe, Katrina A.; Lawrance, Geoffrey A.; Lindoy, Leonard F.; Meehan, George V.; Wenzel, Marco
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 10
• Pages of publication: 1331 - 1340
• a: 10.232 ± 0.003 Å
• b: 10.158 ± 0.003 Å
• c: 17.738 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1843.6 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.0969
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No