Information card for entry 1508966

Structure parameters

• Formula: C29 H55 Cl Ir N3 P2
• Calculated formula: C29 H55 Cl Ir N3 P2
• Title of publication: Iridium-Catalyzed Selective α-Alkylation of Unactivated Amides with Primary Alcohols.
• Authors of publication: Guo, Le; Liu, Yinghua; Yao, Wubing; Leng, Xuebing; Huang, Zheng
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 5
• Pages of publication: 1144 - 1147
• a: 12.2865 ± 0.0019 Å
• b: 14.517 ± 0.002 Å
• c: 21.752 ± 0.003 Å
• α: 81.286 ± 0.003°
• β: 73.769 ± 0.003°
• γ: 89.591 ± 0.003°
• Cell volume: 3679.6 ± 0.9 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1561
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1874
• Weighted residual factors for all reflections included in the refinement: 0.2311
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No