Information card for entry 4082463

Structure parameters

• Formula: C48 H70 B Li O2 P2
• Calculated formula: C48 H70 B Li O2 P2
• Title of publication: Asymmetric Rhodium(I)-Catalyzed C‒C Activations with Zwitterionic Bis-phospholane Ligands
• Authors of publication: Parker, Evelyne; Cramer, Nicolai
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 3
• Pages of publication: 780
• a: 18.2343 ± 0.0004 Å
• b: 18.2343 ± 0.0004 Å
• c: 11.9109 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3429.68 ± 0.12 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No