Information card for entry 7120876

Structure parameters

• Formula: C26 H29 N
• Calculated formula: C26 H30 N
• SMILES: N(C)(c1ccc(cc1)C)c1ccc(cc1C(C)c1c(cc(cc1C)C)C)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: 7.4056 ± 0.0018 Å
• b: 25.093 ± 0.006 Å
• c: 11.58 ± 0.003 Å
• α: 90°
• β: 103.797 ± 0.008°
• γ: 90°
• Cell volume: 2089.8 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1571
• Residual factor for significantly intense reflections: 0.1025
• Weighted residual factors for significantly intense reflections: 0.2596
• Weighted residual factors for all reflections included in the refinement: 0.2932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No