Information card for entry 1543962

Structure parameters

• Formula: C17 H23 N4 O6 P
• Calculated formula: C17 H23 N4 O6 P
• Title of publication: Asymmetric Mannich Reaction of Isatin-Based Ketimines with α-Diazomethylphosphonates Catalyzed by Chiral Silver Phosphate.
• Authors of publication: Chen, Jing; Wen, Xiaojing; Wang, Yan; Du, Fei; Cai, Liu; Peng, Yungui
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 17
• Pages of publication: 4336 - 4339
• a: 9.73106 ± 0.00013 Å
• b: 10.22183 ± 0.00014 Å
• c: 19.6704 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1956.6 ± 0.04 ų
• Cell temperature: 279.66 ± 0.1 K
• Ambient diffraction temperature: 279.66 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0648
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No