Information card for entry 7063491

Structure parameters

• Formula: C16 H15 Cu N3 O3
• Calculated formula: C16 H15 Cu N3 O3
• Title of publication: Synthesis and DNA cleavage studies of rationally designed metallopeptides from N-salicyl-AA-picolamide (SAP) and Cu(ii) ions
• Authors of publication: Panda, Subhashree S.; Kumari, Supriya; Dixit, Manjusha; Sharma, Nagendra K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 45
• Pages of publication: 19188 - 19194
• a: 7.2629 ± 0.0002 Å
• b: 10.8594 ± 0.0004 Å
• c: 11.348 ± 0.0004 Å
• α: 114.939 ± 0.004°
• β: 104.016 ± 0.003°
• γ: 96.535 ± 0.003°
• Cell volume: 763.32 ± 0.06 ų
• Cell temperature: 298.47 ± 0.11 K
• Ambient diffraction temperature: 298.15 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: 0.0273
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0405
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No