Information card for entry 1503732

Structure parameters

• Formula: C26 H26 N O3 P S
• Calculated formula: C26 H26 N O3 P S
• SMILES: S=P(N[C@H]1c2c(O[C@H]1/C=C/C(=O)OCC)ccc(C)c2)(c1ccccc1)c1ccccc1.S=P(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: 7.49 ± 0.003 Å
• c: 21.198 ± 0.008 Å
• α: 90°
• β: 100.869 ± 0.015°
• γ: 90°
• Cell volume: 2366.3 ± 1.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1005
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No