Information card for entry 7120872

Structure parameters

• Formula: C23 H23 N
• Calculated formula: C23 H23 N
• SMILES: N1(C)c2ccc(cc2C(c2c1ccc(c2)C)(C)c1ccccc1)C
• Title of publication: Catalytic double hydroarylation of alkynes to 9,9-disubstituted 9,10-dihydroacridine derivatives by an electrophilic phenoxyphosphonium dication
• Authors of publication: LaFortune, James H. W.; Bayne, Julia M.; Johnstone, Timothy C.; Fan, Louie; Stephan, Douglas W.
• Journal of publication: Chemical Communications
• Year of publication: 2017
• a: 18.82 ± 0.012 Å
• b: 25.412 ± 0.017 Å
• c: 7.492 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3583 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0892
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No