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Information card for entry 2232710
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| Coordinates | 2232710.cif |
|---|---|
| Structure factors | 2232710.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | AT24 |
|---|---|
| Chemical name | <i>N</i>,<i>N</i>-Dimethyl-<i>N</i>',<i>N</i>''-diphenylphosphoric triamide |
| Formula | C14 H18 N3 O P |
| Calculated formula | C14 H18 N3 O P |
| SMILES | c1ccc(cc1)NP(=O)(Nc1ccccc1)N(C)C |
| Title of publication | <i>N</i>,<i>N</i>-Dimethyl-<i>N</i>',<i>N</i>''-diphenylphosphoric triamide |
| Authors of publication | Pourayoubi, Mehrdad; Yousefi, Mohammad; Eslami, Farnaz; Rheingold, Arnold L.; Chen, Chao |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | o3220 |
| a | 15.501 ± 0.003 Å |
| b | 10.8569 ± 0.0017 Å |
| c | 8.1579 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1372.9 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 36 |
| Hermann-Mauguin space group symbol | C m c 21 |
| Hall space group symbol | C 2c -2 |
| Residual factor for all reflections | 0.0297 |
| Residual factor for significantly intense reflections | 0.0284 |
| Weighted residual factors for significantly intense reflections | 0.0816 |
| Weighted residual factors for all reflections included in the refinement | 0.0835 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
2232710.cif 2232710.hkl |
| 181249 | 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 2/23/27. |
2232710.cif 2232710.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. |
2232710.cif 2232710.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232710.cif 2232710.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. | 2232710.cif 2232710.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232710.cif 2232710.hkl |
| 31588 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232710 via cif-deposit CGI script. |
2232710.cif |
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Users of the data should acknowledge the original authors of the
structural data.