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Information card for entry 2234170
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| Coordinates | 2234170.cif |
|---|---|
| Structure factors | 2234170.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetramethyl <i>N</i>,<i>N</i>'-(2,2,3,3,4,4-hexafluoro-1,5-dioxopentane- 1,5-diyl)bis(phosphoramidate) |
|---|---|
| Formula | C9 H14 F6 N2 O8 P2 |
| Calculated formula | C9 H14 F6 N2 O8 P2 |
| SMILES | C(C(C(=O)NP(=O)(OC)OC)(F)F)(F)(C(C(=O)NP(=O)(OC)OC)(F)F)F |
| Title of publication | Tetramethyl <i>N</i>,<i>N</i>'-(2,2,3,3,4,4-hexafluoro-1,5-dioxopentane-1,5-diyl)bis(phosphoramidate) |
| Authors of publication | Trush, Victor A.; Gubina, Kateryna E.; Gumeniuk, Yaroslav O.; Sliva, Tetyana Yu.; Konovalova, Irina S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | o1127 |
| a | 19.7862 ± 0.0013 Å |
| b | 5.2801 ± 0.0004 Å |
| c | 16.9943 ± 0.0011 Å |
| α | 90° |
| β | 100.427 ± 0.006° |
| γ | 90° |
| Cell volume | 1746.1 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.059 |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.0965 |
| Weighted residual factors for all reflections included in the refinement | 0.1057 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.926 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181263 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/41. |
2234170.cif 2234170.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2234170.cif 2234170.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234170.cif 2234170.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2234170.cif 2234170.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234170.cif 2234170.hkl |
| 55433 | 2012-05-05 | cif/ Adding structures of 2234170 via cif-deposit CGI script. |
2234170.cif |
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Users of the data should acknowledge the original authors of the
structural data.