Information card for entry 1568879

Structure parameters

• Formula: C27 H19 N
• Calculated formula: C27 H19 N
• SMILES: c1cccc2c1c1c(cc2)Nc2ccc3c(cccc3)c2C1c1ccccc1
• Title of publication: In(OTf)₃-catalyzed reorganization/cycloaddition of two imine units and subsequent modular assembly of acridinium photocatalysts.
• Authors of publication: Nan, Jiang; Huang, Guanjie; Liu, Shilei; Wang, Jing; Ma, Yangmin; Luan, Xinjun
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 19
• Pages of publication: 5160 - 5166
• a: 10.744 ± 0.002 Å
• b: 6.4582 ± 0.0012 Å
• c: 26.975 ± 0.005 Å
• α: 90°
• β: 90.886 ± 0.006°
• γ: 90°
• Cell volume: 1871.5 ± 0.6 ų
• Cell temperature: 276 ± 2 K
• Ambient diffraction temperature: 276 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2476
• Residual factor for significantly intense reflections: 0.1243
• Weighted residual factors for significantly intense reflections: 0.2455
• Weighted residual factors for all reflections included in the refinement: 0.2928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No