Information card for entry 4022844

Structure parameters

• Formula: C11 H24 N3 O2 Pd0.5
• Calculated formula: C11 H24 N3 O2 Pd0.5
• Title of publication: Guanidine/Pd(OAc)~2~-Catalyzed Room Temperature Suzuki Cross-Coupling Reaction in Aqueous Media under Aerobic Conditions
• Authors of publication: Shenghai Li; Yingjie Lin; Jungang Cao; Suobo Zhang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 4067 - 4072
• a: 8.4892 ± 0.0011 Å
• b: 8.8035 ± 0.0012 Å
• c: 20.054 ± 0.003 Å
• α: 90°
• β: 93 ± 0.002°
• γ: 90°
• Cell volume: 1496.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0894
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No