Information card for entry 7124712

Structure parameters

• Chemical name: (S)-Diisopropyl(2,2-dioxido-4-phenyl-3,4-dihydrobenzo[e][1,2,3]oxathiazin-4-yl)phosphonate
• Formula: C19 H24 N O6 P S
• Calculated formula: C19 H24 N O6 P S
• Title of publication: Enantioselective synthesis of quaternary α-aminophosphonates by Pd-catalyzed arylation of cyclic α-ketiminophosphonates with arylboronic acids.
• Authors of publication: Yan, Zhong; Wu, Bo; Gao, Xiang; Zhou, Yong-Gui
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 72
• Pages of publication: 10882 - 10885
• a: 9.7393 ± 0.0012 Å
• b: 9.7393 ± 0.0012 Å
• c: 18.532 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1522.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No