Information card for entry 7233578

Structure parameters

• Chemical name: INDOLINE
• Formula: C18 H18 N2 O3
• Calculated formula: C18 H18 N2 O3
• Title of publication: Access to indolines from primary phenylethylamines by an unexpected palladium-catalyzed C‒H functionalization process
• Authors of publication: Mancinelli, Andrea; Albert, Joan; Ariza, Xavier; Barrios, Leoní A.; Garcia, Jordi; Gómez, Roberto; Granell, Jaume
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 47
• Pages of publication: 27176
• a: 9.7644 ± 0.0015 Å
• b: 12.097 ± 0.002 Å
• c: 13.137 ± 0.002 Å
• α: 90°
• β: 94.859 ± 0.011°
• γ: 90°
• Cell volume: 1546.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0873
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1688
• Weighted residual factors for all reflections included in the refinement: 0.192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No