Information card for entry 4034765

Structure parameters

• Formula: C17 H17 N O5
• Calculated formula: C17 H17 N O5
• SMILES: O=CN(C)C.O=C(O)c1ccc(c2cc(c(O)cc2)C=O)cc1
• Title of publication: Organic Solvent-Free, Pd(II)-Salan Complex-Catalyzed Synthesis of Biaryls via Suzuki-Miyaura Cross-Coupling in Water and Air.
• Authors of publication: Bunda, Szilvia; Udvardy, Antal; Voronova, Krisztina; Joó, Ferenc
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 24
• Pages of publication: 15486 - 15492
• a: 6.1508 ± 0.0012 Å
• b: 8.0778 ± 0.0016 Å
• c: 16.666 ± 0.003 Å
• α: 89.39 ± 0.03°
• β: 82.57 ± 0.03°
• γ: 68.88 ± 0.03°
• Cell volume: 765.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0638
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No