Information card for entry 4117298

Structure parameters

• Formula: C27.5 H36 Cl3 Ir O P
• Calculated formula: C27.5 H36 Cl3 Ir O P
• Title of publication: Iridium-Catalyzed Addition of Aroyl Chlorides and Aliphatic Acid Chlorides to Terminal Alkynes
• Authors of publication: Tomohiro Iwai; Tetsuaki Fujihara; Jun Terao; Yasushi Tsuji
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 1268 - 1274
• a: 10.5512 ± 0.0009 Å
• b: 12.6165 ± 0.001 Å
• c: 13.158 ± 0.0014 Å
• α: 109.582 ± 0.002°
• β: 103.7 ± 0.003°
• γ: 105.063 ± 0.0009°
• Cell volume: 1489.1 ± 0.2 ų
• Cell temperature: 293.1 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 significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No