Information card for entry 4348167

Structure parameters

• Formula: C24 H26 N4 O2
• Calculated formula: C24 H26 N4 O2
• SMILES: [C@@H](C(=O)Nc1ccccc1NC(=O)[C@H](Cc1ccccc1)N)(Cc1ccccc1)N
• Title of publication: Cu(2+), Zn(2+), and Ni(2+) Complexes of C2-Symmetric Pseudopeptides with an Aromatic Central Spacer.
• Authors of publication: Gorla, Lingaraju; Martí-Centelles, Vicente; Freimuth, Lena; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 15
• Pages of publication: 7617 - 7629
• a: 8.6682 ± 0.0002 Å
• b: 14.7652 ± 0.0003 Å
• c: 18.3708 ± 0.0004 Å
• α: 71.785 ± 0.002°
• β: 88.7145 ± 0.0019°
• γ: 76.039 ± 0.002°
• Cell volume: 2163.86 ± 0.09 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No