Information card for entry 7021425

Structure parameters

• Formula: C20 H17 N3 O2
• Calculated formula: C20 H17 N3 O2
• SMILES: c12ccccc1[nH]c(CCNC=C1C(C=Cc3ccccc13)=O)n2.O
• Title of publication: Dimeric copper(ii) complex of a new Schiff base ligand: Effect of morphology on the catalytic oxidation of aromatic alcohol.
• Authors of publication: Kumar, Ravinder; Mahiya, Kuldeep; Mathur, Pavan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 24
• Pages of publication: 8553 - 8557
• a: 16.5776 ± 0.0019 Å
• b: 4.818 ± 0.0005 Å
• c: 21.372 ± 0.003 Å
• α: 90°
• β: 91.799 ± 0.01°
• γ: 90°
• Cell volume: 1706.2 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1104
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No