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Information card for entry 2229235
Preview
| Coordinates | 2229235.cif |
|---|---|
| Structure factors | 2229235.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Common name | <i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-Tetrakis(2- methylphenyl)oxybis(phosphonic diamide) |
|---|---|
| Chemical name | <i>N</i>-{[bis(2-methylanilino)phosphoryloxy](2- methylanilino)phosphoryl]}-2-methylaniline |
| Formula | C28 H32 N4 O3 P2 |
| Calculated formula | C28 H32 N4 O3 P2 |
| SMILES | P(=O)(Nc1c(cccc1)C)(Nc1c(C)cccc1)OP(=O)(Nc1c(C)cccc1)Nc1ccccc1C |
| Title of publication | <i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-Tetrakis(2-methylphenyl)oxybis(phosphonic diamide): a redetermination at 150K with Mo <i>K</i>α radiation |
| Authors of publication | Pourayoubi, Mehrdad; Padělková, Zdeňka; Rostami Chaijan, Mahnaz; Růžička, Aleš |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 2 |
| Pages of publication | o450 - o451 |
| a | 14.2621 ± 0.0006 Å |
| b | 15.7029 ± 0.0011 Å |
| c | 13.8401 ± 0.0008 Å |
| α | 90° |
| β | 118.915 ± 0.004° |
| γ | 90° |
| Cell volume | 2713.2 ± 0.3 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0816 |
| Residual factor for significantly intense reflections | 0.0535 |
| Weighted residual factors for significantly intense reflections | 0.1043 |
| Weighted residual factors for all reflections included in the refinement | 0.1211 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.176 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201978 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/22 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2229235.cif 2229235.hkl |
| 181213 | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/92. |
2229235.cif 2229235.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2229235.cif 2229235.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229235.cif 2229235.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. | 2229235.cif 2229235.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229235.cif 2229235.hkl |
| 14261 | 2011-03-09 | Adding the Fobs data for the recenty deposited IUCr structrures. | 2229235.cif 2229235.hkl |
| 12323 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 2229235 via cif-deposit CGI script. |
2229235.cif |
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Users of the data should acknowledge the original authors of the
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