Information card for entry 2004662

Structure parameters

• Formula: C8 H15 O4 P
• Calculated formula: C8 H15 O4 P
• Title of publication: Diethyl (1-Hydroxy-2-butynyl)phosphonate
• Authors of publication: Sanders, T. C.; Hammond, G. B.; Golen, J. A.; Williard, P. G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 667 - 669
• a: 7.668 ± 0.002 Å
• b: 8.997 ± 0.001 Å
• c: 9.01 ± 0.002 Å
• α: 115.75 ± 0.02°
• β: 91.32 ± 0.02°
• γ: 97.45 ± 0.02°
• Cell volume: 552.9 ± 0.2 ų
• Cell temperature: 296 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.089
• Goodness-of-fit parameter for significantly intense reflections: 1.76
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No