Information card for entry 7155154

Structure parameters

• Formula: C19 H10 F3 N O2
• Calculated formula: C19 H10 F3 N O2
• SMILES: O=C1c2c(ncc(c3ccccc3)c2)c2c1cc(OC(F)(F)F)cc2
• Title of publication: Metal free TBHP-promoted intramolecular carbonylation of arenes via radical cross-dehydrogenative coupling: synthesis of indenoquinolinones, 4-azafluorenones and fluorenones.
• Authors of publication: Mishra, Kalpana; Pandey, Ashok Kumar; Singh, Jay Bahadur; Singh, Radhey M.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 26
• Pages of publication: 6328 - 6336
• a: 5.891 ± 0.0005 Å
• b: 7.7688 ± 0.0006 Å
• c: 16.658 ± 0.0014 Å
• α: 84.298 ± 0.006°
• β: 82.177 ± 0.007°
• γ: 84.893 ± 0.006°
• Cell volume: 749.33 ± 0.11 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1308
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1927
• Weighted residual factors for all reflections included in the refinement: 0.239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No