Information card for entry 7224526

Structure parameters

• Chemical name: 2-Fluoro-dibenzo[b,h][1,6]naphthyridine
• Formula: C16 H9 F N2
• Calculated formula: C16 H9 F N2
• SMILES: c12nc3c(cc1cnc1c2cc(F)cc1)cccc3
• Title of publication: Ligand-free palladium catalyzed facile construction of tetra cyclic dibenzo[b,h][1,6]naphthyridine derivatives: Domino sequence of intramolecular C-H bond arylation and oxidation reactions
• Authors of publication: singh, jay bahadur; Bharadwaj, Kishor Chandra; Gupta, Tanu; Singh, Radhey M.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 10.153 ± 0.005 Å
• b: 10.171 ± 0.005 Å
• c: 12.242 ± 0.005 Å
• α: 77.609 ± 0.005°
• β: 78.327 ± 0.005°
• γ: 75.424 ± 0.005°
• Cell volume: 1180.2 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No