Information card for entry 7111620

Structure parameters

• Common name: benzo(1,2)quinolizino(3,4,5,6-ija)(1,6)naphthyridin
• Chemical name: benzo[1,2]quinolizino[3,4,5,6-ija][1,6]naphthyridin
• Formula: C28 H17 B F4 N2
• Calculated formula: C28 H17 B F4 N2
• SMILES: [n+]12c3cc(cc1c1ccccc1c1c2c(c2c3cccc2)cnc1)c1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: Photochemically driven intercalation of small molecules into DNA by in situ irradiation
• Authors of publication: Di Pietro, Maria Letizia; Puntoriero, Fausto; Tuyéras, Fabien; Ochsenbein, Philippe; Lainé, Philippe P.; Campagna, Sebastiano
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 28
• Pages of publication: 5169 - 5171
• a: 8.901 ± 0.0018 Å
• b: 17.804 ± 0.004 Å
• c: 12.904 ± 0.003 Å
• α: 90°
• β: 98.76 ± 0.03°
• γ: 90°
• Cell volume: 2021.1 ± 0.8 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 5
• 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: 0.0623
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.34
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No