Information card for entry 4126657

Structure parameters

• Common name: PhCBA+diene complex
• Formula: C123 H83 B2 F48 N4 P2 Rh
• Calculated formula: C123 H83 B2 F48 N4 P2 Rh
• Title of publication: Chiral Pincer Carbodicarbene Ligands for Enantioselective Rhodium-Catalyzed Hydroarylation of Terminal and Internal 1,3-Dienes with Indoles.
• Authors of publication: Marcum, Justin S.; Roberts, Courtney C.; Manan, Rajith S.; Cervarich, Tia N.; Meek, Simon J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 13.2873 ± 0.001 Å
• b: 16.8057 ± 0.0011 Å
• c: 28.318 ± 0.002 Å
• α: 90°
• β: 99.119 ± 0.003°
• γ: 90°
• Cell volume: 6243.6 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No