Information card for entry 4118592

Structure parameters

• Formula: C41 H44 Cl N O2 P Rh
• Calculated formula: C41 H44 Cl N O2 P Rh
• SMILES: [Rh]123(Cl)([P]4(Oc5cccc6c5C5(c7c(CC5)cccc7O4)CC6)N([C@@H](c4ccccc4)C)[C@@H](c4ccccc4)C)[CH]4CC[CH]1=[CH]2CC[CH]3=4
• Title of publication: Rhodium-Phosphoramidite Catalyzed Alkene Hydroacylation: Mechanism and Octaketide Natural Product Synthesis
• Authors of publication: Max von Delius; Christine M. Le; Vy M. Dong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 15022 - 15032
• a: 8.3972 ± 0.0006 Å
• b: 17.4245 ± 0.0012 Å
• c: 24.1671 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3536.1 ± 0.4 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• 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: 0.0373
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No