Information card for entry 4348416

Structure parameters

• Formula: C22 H21 N3 O2
• Calculated formula: C22 H21 N3 O2
• SMILES: O=C(/N=C(NCc1ccccc1)\Nc1c(OC)cccc1)c1ccccc1
• Title of publication: DNA/protein binding, DNA cleavage, cytotoxicity, superoxide radical scavenging and molecular docking studies of copper(ii) complexes containing N-benzyl-N′-aryl-N′′-benzoylguanidine ligands
• Authors of publication: Jeyalakshmi, Kumaramangalam; Arun, Yuvaraj; Bhuvanesh, Nattamai S. P.; Perumal, Paramasivan Thirumalai; Sreekanth, Anandaram; Karvembu, Ramasamy
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 8
• Pages of publication: 780
• a: 9.9964 ± 0.0003 Å
• b: 9.9964 ± 0.0003 Å
• c: 16.0766 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1391.27 ± 0.08 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No