Information card for entry 1542924

Structure parameters

• Formula: C18 H20 N2 O4
• Calculated formula: C18 H20 N2 O4
• SMILES: N(OCc1ccccc1)C(=O)C(NC(=O)C)Cc1ccccc1O
• Title of publication: Rhodium(III) Catalyzed Carboamination of Alkenes Triggered by C-H Activation of N-Phenoxyacetamides under Redox-Neutral Conditions.
• Authors of publication: Hu, Zhiyong; Tong, Xiaofeng; Liu, Guixia
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 7
• Pages of publication: 1702 - 1705
• a: 16.557 ± 0.002 Å
• b: 10.8619 ± 0.0015 Å
• c: 9.5381 ± 0.0013 Å
• α: 90°
• β: 99.792 ± 0.003°
• γ: 90°
• Cell volume: 1690.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.106
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No