Information card for entry 7232614

Structure parameters

• Formula: C19 H19 Cl2 N O3 S
• Calculated formula: C19 H19 Cl2 N O3 S
• Title of publication: K3PO4-promoted domino reactions: diastereoselective synthesis of trans-2,3-dihydrobenzofurans from salicyl N-tert-butanesulfinyl imines and sulfur ylides
• Authors of publication: Zhang, Minxuan; Lu, Tianyu; Zhao, Yun; Xie, Guixian; Miao, Zhiwei
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 21
• Pages of publication: 11978
• a: 8.4226 ± 0.0017 Å
• b: 14.002 ± 0.003 Å
• c: 16.76 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1976.6 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113.15 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: 0.0451
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No