Information card for entry 7018732

Structure parameters

• Formula: C29 H37 Br2 N3 O Pd
• Calculated formula: C29 H37 Br2 N3 O Pd
• Title of publication: Synthesis and characterization of novel chiral NHC-palladium complexes and their application in copper-free Sonogashira reactions.
• Authors of publication: Yang, Longguang; Guan, Pei; He, Pan; Chen, Qian; Cao, Changsheng; Peng, Yu; Shi, Zhan; Pang, Guangsheng; Shi, Yanhui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 16
• Pages of publication: 5020 - 5025
• a: 10.426 ± 0.0011 Å
• b: 17.39 ± 0.0018 Å
• c: 16.7852 ± 0.0015 Å
• α: 90°
• β: 95.899 ± 0.001°
• γ: 90°
• Cell volume: 3027.2 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.063
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No