Information card for entry 7203081

Structure parameters

• Formula: C16 H27 N O7 P2
• Calculated formula: C16 H27 N O7 P2
• SMILES: P1(=O)(OCC(CO1)(C)C)C(NP(=O)(OCC)OCC)c1c(O)cccc1
• Title of publication: Mannich type reactions of chlorophosphites, phosphoramides and aldehydes (ketones) under solvent-free and catalyst-free conditions—synthesis of N-phosphoramino α-aminophosphonates
• Authors of publication: Zhang, Jianfeng; Cui, Zhanwei; Wang, Fei; Wang, Yadan; Miao, Zhiwei; Chen, Ruyu
• Journal of publication: Green Chemistry
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 12
• Pages of publication: 1341
• a: 9.955 ± 0.009 Å
• b: 10.404 ± 0.009 Å
• c: 10.839 ± 0.009 Å
• α: 97.689 ± 0.009°
• β: 98.771 ± 0.007°
• γ: 111.382 ± 0.016°
• Cell volume: 1011 ± 1.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No