Information card for entry 1545956

Structure parameters

• Formula: C17 H13 N O3 Se
• Calculated formula: C17 H13 N O3 Se
• SMILES: c1ccccc1[Se]C1=CC(=O)N(C1=O)c1ccc(cc1)OC
• Title of publication: Ru(II)-Catalyzed C-H Functionalization on Maleimides with Electrophiles: A Demonstration of Umpolung Strategy.
• Authors of publication: Dana, Suman; Mandal, Anup; Sahoo, Harekrishna; Baidya, Mahiuddin
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 7
• Pages of publication: 1902 - 1905
• a: 18.8061 ± 0.0009 Å
• b: 5.9523 ± 0.0002 Å
• c: 13.3383 ± 0.0006 Å
• α: 90°
• β: 90.605 ± 0.002°
• γ: 90°
• Cell volume: 1493 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.055
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No