Information card for entry 4518598

Structure parameters

• Formula: C16 H16 N2 O3
• Calculated formula: C16 H16 N2 O3
• Title of publication: Gold-Catalyzed 1,2-Aminoarylation of Alkenes with External Amines
• Authors of publication: Tathe, Akash G.; Urvashi,; Yadav, Amit K.; Chintawar, Chetan C.; Patil, Nitin T.
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Pages of publication: 4576 - 4582
• a: 6.961 ± 0.003 Å
• b: 12.032 ± 0.005 Å
• c: 16.96 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1420.5 ± 1 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 4
• 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: 0.0731
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.155
• 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