Information card for entry 7036058

Structure parameters

• Formula: C26 H19 N3 O
• Calculated formula: C26 H19 N3 O
• SMILES: c1ccc2c(c1)cc(cc2)COc1cc(c2ccccn2)nc(c1)c1ccccn1
• Title of publication: The effect of potential supramolecular-bond promoters on the DNA-interacting abilities of copper-terpyridine compounds.
• Authors of publication: Grau, Jordi; Brissos, Rosa F.; Salinas-Uber, Jorge; Caballero, Ana B.; Caubet, Amparo; Roubeau, Olivier; Korrodi-Gregório, Luís; Pérez-Tomás, Ricardo; Gamez, Patrick
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 36
• Pages of publication: 16061 - 16072
• a: 5.9083 ± 0.0015 Å
• b: 8.824 ± 0.002 Å
• c: 18.775 ± 0.005 Å
• α: 90°
• β: 96.643 ± 0.018°
• γ: 90°
• Cell volume: 972.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.65 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1215
• Residual factor for significantly intense reflections: 0.0963
• Weighted residual factors for significantly intense reflections: 0.2477
• Weighted residual factors for all reflections included in the refinement: 0.2762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No