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Information card for entry 2231098
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| Coordinates | 2231098.cif |
|---|---|
| Structure factors | 2231098.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | Phenyl bis(morpholin-4-ylamido)phosphinate |
|---|---|
| Chemical name | <i>N</i>-[(morpholin-4-ylamino)(phenoxy)phosphoryl]morpholin-4-amine |
| Formula | C14 H23 N4 O4 P |
| Calculated formula | C14 H23 N4 O4 P |
| Title of publication | Phenyl bis(morpholin-4-ylamido)phosphinate |
| Authors of publication | Pourayoubi, Mehrdad; Eshtiagh-Hosseini, Hossein; Negari, Monireh; Nečas, Marek |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 8 |
| Pages of publication | o2202 |
| a | 4.7469 ± 0.0002 Å |
| b | 12.3528 ± 0.0005 Å |
| c | 14.2149 ± 0.0005 Å |
| α | 90.542 ± 0.003° |
| β | 98.389 ± 0.004° |
| γ | 93.009 ± 0.004° |
| Cell volume | 823.35 ± 0.06 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 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 | 0.0404 |
| Residual factor for significantly intense reflections | 0.0287 |
| Weighted residual factors for significantly intense reflections | 0.068 |
| Weighted residual factors for all reflections included in the refinement | 0.0697 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
| 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. |
2231098.cif 2231098.hkl |
| 181232 | 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 2/23/10. |
2231098.cif 2231098.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. |
2231098.cif 2231098.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231098.cif 2231098.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. | 2231098.cif 2231098.hkl |
| 27511 | 2011-10-06 | hkl/ Committing assigned Fobs data for the recently deposited coordinates from IUCr journals. |
2231098.cif 2231098.hkl |
| 27000 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2231098 via cif-deposit CGI script. |
2231098.cif |
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Users of the data should acknowledge the original authors of the
structural data.