Information card for entry 4024324

Structure parameters

• Chemical name: carbonyl(1,1,1, 3,3,3-hexafluoropropan-2-olato-kO)bis(triphenylphosphane)rhodium(I)
• Formula: C40 H31 F6 O2 P2 Rh
• Calculated formula: C40 H31 F6 O2 P2 Rh
• Title of publication: Rhodium(I)-Catalyzed Synthesis of Indoles: Amino-Claisen Rearrangement of N-Propargylanilines
• Authors of publication: Akio Saito; Shoko Oda; Haruhiko Fukaya; Yuji Hanzawa
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 1517 - 1524
• a: 19.973 ± 0.006 Å
• b: 12.492 ± 0.003 Å
• c: 29.095 ± 0.008 Å
• α: 90°
• β: 99.179 ± 0.003°
• γ: 90°
• Cell volume: 7166 ± 3 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No