Information card for entry 7154031

Structure parameters

• Formula: C18 H11 N O
• Calculated formula: C18 H11 N O
• SMILES: n1cccc2C(=O)c3ccc(cc3c12)c1ccccc1
• 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: 9.6136 ± 0.0009 Å
• b: 15.2925 ± 0.0012 Å
• c: 17.8493 ± 0.0015 Å
• α: 94.364 ± 0.004°
• β: 105.608 ± 0.004°
• γ: 90.128 ± 0.004°
• Cell volume: 2519.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1755
• Residual factor for significantly intense reflections: 0.1065
• Weighted residual factors for significantly intense reflections: 0.2702
• Weighted residual factors for all reflections included in the refinement: 0.2987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No