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Information card for entry 2018452
Preview
| Coordinates | 2018452.cif |
|---|---|
| Structure factors | 2018452.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Common name | <i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-tetra-<i>tert</i>- butyloxybis(phosphonic diamide) |
|---|---|
| Chemical name | ({[bis(tert-butylamino)phosphoryl]oxy}(<i>tert</i>- butylamino)phosphoryl)(<i>tert</i>-butyl)amine |
| Formula | C16 H40 N4 O3 P2 |
| Calculated formula | C16 H40 N4 O3 P2 |
| SMILES | P(=O)(OP(=O)(NC(C)(C)C)NC(C)(C)C)(NC(C)(C)C)NC(C)(C)C |
| Title of publication | Two new <i>X</i>P(O)[NHC(CH~3~)~3~]~2~ phosphoramidates, with <i>X</i> = (CH~3~)~2~N and [(CH~3~)~3~CNH]~2~P(O)(O) |
| Authors of publication | Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Karimi Ahmadabad, Fatemeh; Fejfarová, Karla; van der Lee, Arie; Dušek, Michal |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | o164 - o169 |
| a | 11.3715 ± 0.0004 Å |
| b | 17.7755 ± 0.0007 Å |
| c | 13.6956 ± 0.0005 Å |
| α | 90° |
| β | 119.371 ± 0.004° |
| γ | 90° |
| Cell volume | 2412.51 ± 0.18 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.0521 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.1004 |
| Weighted residual factors for all reflections included in the refinement | 0.1074 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.6 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201957 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/01 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2018452.cif 2018452.hkl |
| 180853 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/84. |
2018452.cif 2018452.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018452.cif 2018452.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018452.cif 2018452.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. | 2018452.cif 2018452.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2018452.cif 2018452.hkl |
| 55420 | 2012-05-05 | cif/ Adding structures of 2018451, 2018452 via cif-deposit CGI script. |
2018452.cif |
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Users of the data should acknowledge the original authors of the
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