Information card for entry 7063160

Structure parameters

• Formula: C31 H37.5 N6.5 O4 Zn
• Calculated formula: C31 H37.5 N6.5 O4 Zn
• 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
• a: 10.4192 ± 0.0002 Å
• b: 14.5738 ± 0.0004 Å
• c: 20.2693 ± 0.0005 Å
• α: 78.682 ± 0.002°
• β: 87.613 ± 0.002°
• γ: 86.401 ± 0.002°
• Cell volume: 3010.68 ± 0.13 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No