Information card for entry 4028238

Structure parameters

• Formula: C10 H12 N4 O4
• Calculated formula: C10 H12 N4 O4
• Title of publication: Nickel-Catalyzed Suzuki-Miyaura Coupling of Heteroaryl Ethers with Arylboronic Acids
• Authors of publication: Xiao-Jian Li; Jin-Ling Zhang; Yu Geng; Zhong Jin
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 5078 - 5084
• a: 8.055 ± 0.0016 Å
• b: 6.578 ± 0.0012 Å
• c: 22.091 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1170.5 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No