Information card for entry 1503729

Structure parameters

• Formula: C26 H26 N O3 P S
• Calculated formula: C26 H26 N O3 P S
• SMILES: P(=S)(N[C@H]1c2c(O[C@H]1/C=C/C(=O)OCC)ccc(C)c2)(c1ccccc1)c1ccccc1.P(=S)(N[C@@H]1c2c(O[C@@H]1/C=C/C(=O)OCC)ccc(C)c2)(c1ccccc1)c1ccccc1
• Title of publication: Bifunctional phosphine-catalyzed domino reaction: highly stereoselective synthesis of cis-2,3-dihydrobenzofurans from salicyl N-thiophosphinyl imines and allenes.
• Authors of publication: Meng, Xiangtai; Huang, You; Chen, Ruyu
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 137 - 140
• a: 15.176 ± 0.006 Å
• b: 22.472 ± 0.009 Å
• c: 22.477 ± 0.008 Å
• α: 70.58 ± 0.009°
• β: 79.743 ± 0.013°
• γ: 89.96 ± 0.013°
• Cell volume: 7100 ± 5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2833
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.2329
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No