Information card for entry 4324208

Structure parameters

• Common name: Phenanthroline derivative
• Formula: C23 H14 N4
• Calculated formula: C23 H14 N4
• SMILES: n1c2c3c(c4ncccc4c2[nH]c1c1c2ccccc2ccc1)nccc3
• Title of publication: Synthesis, Electronic Structure, DNA and Protein Binding, DNA Cleavage, and Anticancer Activity of Fluorophore-Labeled Copper(II) Complexes
• Authors of publication: Satish S. Bhat; Anupa A. Kumbhar; Hussain Heptullah; Ayesha A. Khan; Vivekanand V. Gobre; Shridhar P. Gejji; Vedavati G. Puranik
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 545 - 558
• a: 16.236 ± 0.002 Å
• b: 7.4541 ± 0.0009 Å
• c: 13.6519 ± 0.0017 Å
• α: 90°
• β: 93.989 ± 0.003°
• γ: 90°
• Cell volume: 1648.2 ± 0.4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No