Information card for entry 2023241

Structure parameters

• Chemical name: Diethyl {[(5-[2-(diethoxyphosphoryl)acetamido]-3-{2-[2-(diethoxyphosphoryl)acetamido]ethyl}pentyl)carbamoyl]methyl}phosphonate
• Formula: C25 H52 N3 O12 P3
• Calculated formula: C25 H52 N3 O12 P3
• Title of publication: Crystal structure of a tris(2-aminoethyl)methane capped carbamoylmethylphosphine oxide compound
• Authors of publication: Wackerle, Brandon G.; Werner, Eric J.; Staples, Richard J.; Biros, Shannon M.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 9
• Pages of publication: 993 - 996
• a: 10.02487 ± 0.00011 Å
• b: 11.92992 ± 0.00015 Å
• c: 16.6237 ± 0.0002 Å
• α: 100.479 ± 0.0011°
• β: 100.124 ± 0.001°
• γ: 111.131 ± 0.0011°
• Cell volume: 1759.25 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0435
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No