Information card for entry 4507143

Structure parameters

• Formula: C53 H51 B F24 N O P2 Rh S
• Calculated formula: C53 H51 B F24 N O P2 Rh S
• Title of publication: Exploring Small Bite-Angle Ligands for the Rhodium-Catalyzed Intermolecular Hydroacylation of β-S-Substituted Aldehydes with 1-Octene and 1-Octyne
• Authors of publication: Pernik, Indrek; Hooper, Joel F.; Chaplin, Adrian B.; Weller, Andrew S.; Willis, Michael C.
• Journal of publication: ACS Catalysis
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 12
• Pages of publication: 2779
• a: 12.2384 ± 0.0002 Å
• b: 15.4948 ± 0.0003 Å
• c: 17.5543 ± 0.0003 Å
• α: 103.603 ± 0.0007°
• β: 109.864 ± 0.0008°
• γ: 98.834 ± 0.0007°
• Cell volume: 2942.02 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.1787
• 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