Information card for entry 1556075

Structure parameters

• Formula: C20 H21 N O2
• Calculated formula: C20 H21 N O2
• SMILES: c1c(cc(cc1C)N1C(=O)CC(C1=O)c1cc(cc(c1)C)C)C
• Title of publication: Ruthenium(II)-Catalyzed Hydroarylation of Maleimides Using Carboxylic Acids as a Traceless Directing Group.
• Authors of publication: Mandal, Anup; Sahoo, Harekrishna; Dana, Suman; Baidya, Mahiuddin
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 15
• Pages of publication: 4138 - 4141
• a: 8.8357 ± 0.0006 Å
• b: 10.6795 ± 0.0006 Å
• c: 10.7206 ± 0.0007 Å
• α: 63.805 ± 0.001°
• β: 75.002 ± 0.002°
• γ: 71.138 ± 0.002°
• Cell volume: 850.9 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No