Information card for entry 4034224

Structure parameters

• Formula: C19 H16 N2 O4
• Calculated formula: C19 H16 N2 O4
• SMILES: c12ccccc1C(=O)NC12CC(=O)N(C1=O)Cc1ccc(cc1)OC
• Title of publication: Rhodium(III)-Catalyzed Redox-Neutral 1,1-Cyclization of N-Methoxy Benzamides with Maleimides via C-H/N-H/N-O Activation: Detailed Mechanistic Investigation.
• Authors of publication: Ramesh, Balu; Tamizmani, Masilamani; Jeganmohan, Masilamani
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 7
• Pages of publication: 4058 - 4071
• a: 17.3441 ± 0.0007 Å
• b: 5.5569 ± 0.0003 Å
• c: 18.2798 ± 0.0008 Å
• α: 90°
• β: 107.527 ± 0.0018°
• γ: 90°
• Cell volume: 1680.01 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0676
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No