Information card for entry 4025586

Structure parameters

• Formula: C13 H26 N O8 P
• Calculated formula: C13 H26 N O8 P
• Title of publication: [4 + 2] Cycloadditions of 1-Phosphono-1,3-butadienes with Nitroso Heterodienophiles: A Versatile Synthetic Route for Polyfunctionalized Aminophosphonic Derivatives
• Authors of publication: Jean-Christophe Monbaliu; Bernard Tinant; Jacqueline Marchand-Brynaert
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 5478 - 5486
• a: 14.526 ± 0.001 Å
• b: 8.159 ± 0.003 Å
• c: 15.267 ± 0.007 Å
• α: 90°
• β: 94.955 ± 0.004°
• γ: 90°
• Cell volume: 1802.6 ± 1.1 ų
• Cell temperature: 146 ± 2 K
• Ambient diffraction temperature: 146 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No