Information card for entry 1513874

Structure parameters

• Formula: C56 H83 O7 P
• Calculated formula: C56 H83 O7 P
• SMILES: P1(=O)(Oc2c3C4(CCc3ccc2c2c(cc(cc2C(C)C)C(C)C)C(C)C)c2c(O1)c(ccc2CC4)c1c(cc(cc1C(C)C)C(C)C)C(C)C)O.OC(C)C.OC(C)C.OC(C)C
• 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: 11.779 ± 0.0013 Å
• b: 17.451 ± 0.002 Å
• c: 13.849 ± 0.0016 Å
• α: 90°
• β: 110.544 ± 0.004°
• γ: 90°
• Cell volume: 2665.7 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No