Information card for entry 4087759

Structure parameters

• Formula: C15 H31 B F4 N O2 P2 Rh
• Calculated formula: C15 H31 B F4 N O2 P2 Rh
• Title of publication: Rhodium-Catalyzed Pauson‒Khand Reaction Using a Small-Bite-Angle P-Stereogenic C1-Diphosphine Ligand
• Authors of publication: Cristóbal-Lecina, Edgar; Costantino, Andrea R.; Grabulosa, Arnald; Riera, Antoni; Verdaguer, Xavier
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 20
• Pages of publication: 4989
• a: 8.4615 ± 0.0018 Å
• b: 13.592 ± 0.003 Å
• c: 19.419 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2233.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No