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Information card for entry 2231310
Preview
| Coordinates | 2231310.cif |
|---|---|
| Structure factors | 2231310.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | Bis(4-morpholin-4-yl)phosphinic (chlorodifluoroacetyl)amide |
|---|---|
| Chemical name | <i>N</i>-[bis(morpholin-4-yl)phosphinoyl]-2-chloro-2,2-difluoroacetamide |
| Formula | C10 H17 Cl F2 N3 O4 P |
| Calculated formula | C10 H17 Cl F2 N3 O4 P |
| Title of publication | <i>N</i>-[Bis(morpholin-4-yl)phosphinoyl]-2-chloro-2,2-difluoroacetamide |
| Authors of publication | Pourayoubi, Mehrdad; Saneei, Anahid |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 8 |
| Pages of publication | o2201 |
| a | 7.646 ± 0.0011 Å |
| b | 12.5507 ± 0.0018 Å |
| c | 16.477 ± 0.002 Å |
| α | 70.605 ± 0.003° |
| β | 89.562 ± 0.003° |
| γ | 82.155 ± 0.003° |
| Cell volume | 1476.3 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1 |
| Residual factor for significantly intense reflections | 0.0649 |
| Weighted residual factors for significantly intense reflections | 0.1573 |
| Weighted residual factors for all reflections included in the refinement | 0.1718 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2231310.cif 2231310.hkl |
| 181235 | 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 2/23/13. |
2231310.cif 2231310.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. |
2231310.cif 2231310.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231310.cif 2231310.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. | 2231310.cif 2231310.hkl |
| 27511 | 2011-10-06 | hkl/ Committing assigned Fobs data for the recently deposited coordinates from IUCr journals. |
2231310.cif 2231310.hkl |
| 27225 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2231310 via cif-deposit CGI script. |
2231310.cif |
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Users of the data should acknowledge the original authors of the
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