Information card for entry 7063155

Structure parameters

• Formula: C25 H24 N4 O4 Zn
• Calculated formula: C25 H24 N4 O4 Zn
• SMILES: [Zn]12(OC(=O)c3[n]1c1c(cc3)cccc1)(OC(=O)c1[n]2c2ccccc2cc1)[NH]1CCN(CC1)C
• Title of publication: Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines
• Authors of publication: Podjed, Nina; Košmrlj, Janez; Modec, Barbara
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 19
• Pages of publication: 8844 - 8859
• a: 10.9883 ± 0.0004 Å
• b: 12.068 ± 0.0005 Å
• c: 17.4386 ± 0.0006 Å
• α: 90°
• β: 98.953 ± 0.004°
• γ: 90°
• Cell volume: 2284.3 ± 0.15 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0615
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No