Information card for entry 7154032

Structure parameters

• Formula: C19 H10 F3 N O
• Calculated formula: C19 H10 F3 N O
• SMILES: c1ccccc1c1ccc2C(=O)c3ccc(nc3c2c1)C(F)(F)F
• Title of publication: Synthesis of substituted azafluorenones from dihalogeno diaryl ketones by palladium-catalyzed auto-tandem processes.
• Authors of publication: Marquise, Nada; Dorcet, Vincent; Chevallier, Floris; Mongin, Florence
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 41
• Pages of publication: 8138 - 8141
• a: 11.6541 ± 0.001 Å
• b: 7.3177 ± 0.0006 Å
• c: 33.887 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2889.9 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1727
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No