Information card for entry 7154033

Structure parameters

• Formula: C36 H22 N2 O2
• Calculated formula: C36 H22 N2 O2
• SMILES: c1cc2c3ncccc3C(=O)c2cc1c1ccccc1.c1cc2c3ncccc3C(=O)c2cc1c1ccccc1
• 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: 7.4383 ± 0.001 Å
• b: 12.2361 ± 0.0017 Å
• c: 27.524 ± 0.003 Å
• α: 90°
• β: 96.983 ± 0.005°
• γ: 90°
• Cell volume: 2486.5 ± 0.6 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.124
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No