Information card for entry 7154034

Structure parameters

• Formula: C18 H11 N O
• Calculated formula: C18 H11 N O
• 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: 15.9675 ± 0.0006 Å
• b: 4.9591 ± 0.0002 Å
• c: 16.0534 ± 0.0009 Å
• α: 90°
• β: 95.093 ± 0.002°
• γ: 90°
• Cell volume: 1266.16 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0799
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No