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Information card for entry 2229153
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| Coordinates | 2229153.cif |
|---|---|
| Structure factors | 2229153.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | <i>N</i>,<i>N</i>'-Dicyclohexyl-<i>N</i>'',N''-dimethylphosphoric triamide |
|---|---|
| Formula | C14 H30 N3 O P |
| Calculated formula | C14 H30 N3 O P |
| SMILES | P(=O)(N(C)C)(NC1CCCCC1)NC1CCCCC1 |
| Title of publication | <i>N</i>,<i>N</i>'-Dicyclohexyl-<i>N</i>'',<i>N</i>''-dimethylphosphoric triamide |
| Authors of publication | Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Karimi Ahmadabad, Fatemeh; Azarkamanzad, Zahra; Ebrahimi Valmoozi, Ali Asghar |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 2 |
| Pages of publication | o502 |
| a | 11.742 ± 0.004 Å |
| b | 7.712 ± 0.003 Å |
| c | 18.366 ± 0.006 Å |
| α | 90° |
| β | 102.12 ± 0.007° |
| γ | 90° |
| Cell volume | 1626 ± 1 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1491 |
| Residual factor for significantly intense reflections | 0.0719 |
| Weighted residual factors for significantly intense reflections | 0.1554 |
| Weighted residual factors for all reflections included in the refinement | 0.1985 |
| 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 |
|---|---|---|---|
| 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. |
2229153.cif 2229153.hkl |
| 181212 | 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 2/22/91. |
2229153.cif 2229153.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. |
2229153.cif 2229153.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229153.cif 2229153.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. | 2229153.cif 2229153.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229153.cif 2229153.hkl |
| 14261 | 2011-03-09 | Adding the Fobs data for the recenty deposited IUCr structrures. | 2229153.cif 2229153.hkl |
| 12194 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 2229153 via cif-deposit CGI script. |
2229153.cif |
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Users of the data should acknowledge the original authors of the
structural data.