Information card for entry 4025326

Structure parameters

• Formula: C24 H17 N
• Calculated formula: C24 H17 N
• SMILES: c12ccccc1c(c1ccc(C)cc1)c1c3ccccc3ccc1n2
• Title of publication: Synthesis of Acridines by the [4 + 2] Annulation of Arynes and 2-Aminoaryl Ketones
• Authors of publication: Donald C. Rogness; Richard C. Larock
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 2289 - 2295
• a: 24.66 ± 0.007 Å
• b: 5.928 ± 0.004 Å
• c: 23.352 ± 0.007 Å
• α: 90°
• β: 107.314 ± 0.004°
• γ: 90°
• Cell volume: 3259 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No