Information card for entry 4024195

Structure parameters

• Formula: C9 H21 N O7 P2
• Calculated formula: C9 H21 N O7 P2
• SMILES: C(=O)(C(P(=O)(OC)OC)P(=O)(OC)OC)NC(C)C
• Title of publication: Dialkoxyphosphinyl-Substituted Enols of Carboxamides
• Authors of publication: Jinhua Song; Hiroshi Yamataka; Zvi Rappoport
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 7605 - 7624
• a: 16.428 ± 0.003 Å
• b: 11.695 ± 0.002 Å
• c: 8.0881 ± 0.0015 Å
• α: 90°
• β: 100.953 ± 0.003°
• γ: 90°
• Cell volume: 1525.7 ± 0.5 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0858
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1623
• Weighted residual factors for all reflections included in the refinement: 0.1734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No