Information card for entry 1513875

Structure parameters

• Formula: C70 H66 Cl2 O19 P4 Rh2
• Calculated formula: C70 H61 Cl2 O19 P4 Rh2
• SMILES: [Rh]1234([Rh]([OH2])([O]=P5(O1)Oc1cccc6CCC7(c16)CCc1cccc(O5)c71)(OP1(=[O]2)Oc2cccc5CCC6(c25)CCc2cccc(O1)c62)([O]=P1(O3)Oc2cccc3CCC5(CCc6cccc(O1)c56)c23)OP1(=[O]4)Oc2cccc3CCC4(c23)CCc2cccc(O1)c42)OC.ClCCl.O
• Title of publication: Highly enantioselective S‒H bond insertion cooperatively catalyzed by dirhodium complexes and chiral spiro phosphoric acids
• Authors of publication: Xu, Bin; Zhu, Shou-Fei; Zhang, Zhi-Chao; Yu, Zhi-Xiang; Ma, Yi; Zhou, Qi-Lin
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 4
• Pages of publication: 1442
• a: 16.527 ± 0.003 Å
• b: 18.866 ± 0.004 Å
• c: 26.157 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8156 ± 3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• 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: 0.0514
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No