Information card for entry 4120536

Structure parameters

• Formula: C51 H48 Cl O3 P2 Rh
• Calculated formula: C51 H48 Cl O3 P2 Rh
• Title of publication: Mechanistic Investigations of the Rhodium Catalyzed Propargylic CH Activation.
• Authors of publication: Gellrich, Urs; Meißner, Antje; Steffani, Alberto; Kähny, Matthias; Drexler, Hans-Joachim; Heller, Detlef; Plattner, Dietmar A.; Breit, Bernhard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 3
• Pages of publication: 1097 - 1104
• a: 11.0932 ± 0.0005 Å
• b: 11.1066 ± 0.0005 Å
• c: 23.295 ± 0.0011 Å
• α: 84.295 ± 0.002°
• β: 89.308 ± 0.002°
• γ: 78.559 ± 0.002°
• Cell volume: 2799.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0576
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No