Information card for entry 7120874

Structure parameters

• Formula: C22 H21 N
• Calculated formula: C22 H21 N
• SMILES: CN1c2ccccc2C(C)(c2ccc(cc2)C)c2c1cccc2
• 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: 8.0404 ± 0.0008 Å
• b: 13.3233 ± 0.0017 Å
• c: 15.2895 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1637.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0987
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.1908
• Weighted residual factors for all reflections included in the refinement: 0.1977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No