Information card for entry 4101833

Structure parameters

• Formula: C95 H90 B F24 Ir N O P
• Calculated formula: C95 H90 B F24 Ir N O P
• Title of publication: Enantioselective Hydrogenation of α-Aryloxy and α-Alkoxy α,β-Unsaturated Carboxylic Acids Catalyzed by Chiral Spiro Iridium/Phosphino-Oxazoline Complexes
• Authors of publication: Shen Li; Shou-Fei Zhu; Jian-Hua Xie; Song Song; Can-Ming Zhang; Qi-Lin Zhou
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 1172 - 1179
• a: 19.121 ± 0.003 Å
• b: 21.195 ± 0.003 Å
• c: 21.618 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8761 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No