Information card for entry 7158402

Structure parameters

• Formula: C27 H41 Cl3 N3 O6 P
• Calculated formula: C26.999 H40.999 Cl2.997 N3 O6 P
• Title of publication: Asymmetric synthesis of functionalized 2,3-dihydrobenzofurans using salicyl <i>N</i>-phosphonyl imines facilitated by group-assisted purification (GAP) chemistry.
• Authors of publication: Rouh, Hossein; Tang, Yao; Zhang, Sai; Ali, Ahmed I. M.; Unruh, Daniel; Surowiec, Kazimierz; Li, Guigen
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 47
• Pages of publication: 10319 - 10325
• a: 11.8848 ± 0.0001 Å
• b: 12.8057 ± 0.0001 Å
• c: 21.212 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3228.32 ± 0.06 ų
• Cell temperature: 99.9 ± 0.3 K
• Ambient diffraction temperature: 99.9 ± 0.3 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: 0.0361
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No