Information card for entry 1503361

Structure parameters

• Formula: C23 H16 I N O2
• Calculated formula: C23 H16 I N O2
• SMILES: Ic1ccc(Nc2ccccc2C(=O)[C@]23O[C@H](C=C2)c2c3cccc2)cc1.Ic1ccc(Nc2ccccc2C(=O)[C@@]23O[C@@H](C=C2)c2c3cccc2)cc1
• Title of publication: Insertion of benzene rings into the amide bond: one-step synthesis of acridines and acridones from aryl amides.
• Authors of publication: Pintori, Didier G.; Greaney, Michael F.
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 168 - 171
• a: 8.3396 ± 0.0002 Å
• b: 9.1524 ± 0.0002 Å
• c: 12.1045 ± 0.0003 Å
• α: 86.0787 ± 0.0012°
• β: 79.3543 ± 0.0011°
• γ: 85.5743 ± 0.0011°
• Cell volume: 903.91 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No