Information card for entry 1570559

Structure parameters

• Formula: C17 H18 N
• Calculated formula: C17 H18 N
• Title of publication: A four-component reaction to access 3,3-disubstituted indolines <i>via</i> the palladium-norbornene-catalyzed <i>ortho</i> amination/<i>ipso</i> conjunctive coupling.
• Authors of publication: Rago, Alexander J.; Ye, Rong; Liu, Xin; Dong, Guangbin
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 4
• Pages of publication: 1318 - 1323
• a: 8.5075 ± 0.0002 Å
• b: 9.6128 ± 0.0002 Å
• c: 16.4841 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1348.08 ± 0.05 ų
• Cell temperature: 99.9 ± 0.6 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No