Information card for entry 4034761

Structure parameters

• Formula: C16 H16 N2 O5
• Calculated formula: C16 H16 N2 O5
• SMILES: N(C=O)(C)C.O=C(O)c1ccc(c2ccc(N(=O)=O)cc2)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: 7.9772 ± 0.0005 Å
• b: 9.3301 ± 0.0005 Å
• c: 11.0632 ± 0.0006 Å
• α: 87.994 ± 0.003°
• β: 71.069 ± 0.003°
• γ: 79.461 ± 0.003°
• Cell volume: 765.47 ± 0.08 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.1223
• Residual factor for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No