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Information card for entry 2023241
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Coordinates | 2023241.cif |
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Original IUCr paper | HTML |
Chemical name | Diethyl {[(5-[2-(diethoxyphosphoryl)acetamido]-3-{2-[2-(diethoxyphosphoryl)acetamido]ethyl}pentyl)carbamoyl]methyl}phosphonate |
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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 Å3 |
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 |
Revision | Date | Message | Files |
---|---|---|---|
294310 (current) | 2024-08-31 | cif/ Adding structures of 2023241 via cif-deposit CGI script. |
2023241.cif |
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