Information card for entry 7120875

Structure parameters

• Formula: C29 H27 N
• Calculated formula: C29 H27 N
• SMILES: N1(C)c2ccc(cc2C(c2c1ccc(c2)C)(C)c1ccc(cc1)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: 23.643 ± 0.004 Å
• b: 6.2144 ± 0.0009 Å
• c: 29.822 ± 0.004 Å
• α: 90°
• β: 105.394 ± 0.006°
• γ: 90°
• Cell volume: 4224.5 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1361
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No