Information card for entry 2242980

Structure parameters

• Chemical name: Diethyl [({2-[2-(diethoxyphosphinoyl)ethanamido]ethyl}carbamoyl)methyl]phosphonate
• Formula: C14 H30 N2 O8 P2
• Calculated formula: C14 H30 N2 O8 P2
• Title of publication: Crystal structures of two bis-carbamoylmethylphosphine oxide (CMPO) compounds
• Authors of publication: VanderWeide, Andrew I.; Staples, Richard J.; Biros, Shannon M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 7
• Pages of publication: 991 - 996
• a: 8.9401 ± 0.0001 Å
• b: 15.0535 ± 0.0002 Å
• c: 15.7314 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2117.13 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes