Information card for entry 1505933

Structure parameters

• Formula: C55.5 H53 B Cl3 F4 O6 P2 Rh
• Calculated formula: C55.5 H53 B Cl3 F4 O6 P2 Rh
• SMILES: c1ccc(cc1)O[P]1(Oc2cccc3c2C2(c4c(O1)cccc4CC2)CC3)[Rh]123([CH]4=[CH]3CC[CH]1=[CH]2CC4)[P]1(Oc2ccccc2)Oc2cccc3c2C2(c4c(O1)cccc4CC2)CC3.[F-][B](F)(F)F.ClCCl.ClCCl
• Title of publication: Enantioselective rhodium-catalyzed addition of arylboronic acids to aldehydes using chiral spiro monophosphite ligands.
• Authors of publication: Duan, Hai-Feng; Xie, Jian-Hua; Shi, Wen-Jian; Zhang, Qi; Zhou, Qi-Lin
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 7
• Pages of publication: 1479 - 1481
• a: 15.362 ± 0.002 Å
• b: 10.6888 ± 0.0014 Å
• c: 16.338 ± 0.002 Å
• α: 90°
• β: 92.15 ± 0.002°
• γ: 90°
• Cell volume: 2680.8 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No