Information card for entry 7032716

Structure parameters

• Formula: C19 H22 N2 O2
• Calculated formula: C19 H22 N2 O2
• SMILES: Oc1ccccc1/C=N/CC(C/N=C/c1c(O)cccc1)(C)C
• Title of publication: Novel uranyl(VI) complexes incorporating propylene-bridged salen-type N2O2-ligands: a structural and computational approach.
• Authors of publication: Azam, Mohammad; Al-Resayes, Saud I; Velmurugan, Gunasekaran; Venuvanalingam, Ponnambalam; Wagler, Jörg; Kroke, Edwin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 2
• Pages of publication: 568 - 577
• a: 6.1281 ± 0.0003 Å
• b: 15.9681 ± 0.001 Å
• c: 17.311 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1693.95 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No