Information card for entry 7060804

Structure parameters

• Formula: C25 H15 N
• Calculated formula: C25 H15 N
• SMILES: c12ccccc1cc1c3c4ccccc4c4ccccc4c3ccc1n2
• Title of publication: Aza-aromatic polycycles based on triphenylene and acridine or acridone: synthesis and properties
• Authors of publication: Bouarfa, Salima; Jéhan, Philippe; Erb, William; Mongin, Olivier; Porée, François-Hugues; Roisnel, Thierry; Bentabed-Ababsa, Ghenia; Le Yondre, Nicolas; Mongin, Florence
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 32
• Pages of publication: 14414 - 14424
• a: 12.054 ± 0.002 Å
• b: 10.6413 ± 0.001 Å
• c: 13.5706 ± 0.0019 Å
• α: 90°
• β: 114.096 ± 0.009°
• γ: 90°
• Cell volume: 1589 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• 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: 0.0719
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.2049
• Weighted residual factors for all reflections included in the refinement: 0.2336
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No