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Information card for entry 2019684
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| Coordinates | 2019684.cif |
|---|---|
| Structure factors | 2019684.hkl |
| Original IUCr paper | HTML |
| Chemical name | N,N,N',N'-tetraethyl-N''-(4-fluorobenzoyl)phosphoric triamide |
|---|---|
| Formula | C15 H25 F N3 O2 P |
| Calculated formula | C15 H25 F N3 O2 P |
| SMILES | P(=O)(NC(=O)c1ccc(F)cc1)(N(CC)CC)N(CC)CC |
| Title of publication | Three new phosphoric triamides with a [C(O)NH]P(O)[N(C)(C)]~2~ skeleton: a database analysis of C—N—C and P—N—C bond angles |
| Authors of publication | Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Rheingold, Arnold L.; Golen, James A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 10 |
| Pages of publication | 998 - 1002 |
| a | 8.8477 ± 0.0006 Å |
| b | 9.7545 ± 0.0006 Å |
| c | 10.0198 ± 0.0007 Å |
| α | 79.993 ± 0.002° |
| β | 77.973 ± 0.002° |
| γ | 83.658 ± 0.002° |
| Cell volume | 830.43 ± 0.1 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0363 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0851 |
| Weighted residual factors for all reflections included in the refinement | 0.0891 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181866 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/96. |
2019684.cif 2019684.hkl |
| 180864 | 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 2/01/96. |
2019684.cif 2019684.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. |
2019684.cif 2019684.hkl |
| 124463 | 2014-10-02 | cif/ hkl/ Adding structures of 2019684, 2019685, 2019686 via cif-deposit CGI script. |
2019684.cif 2019684.hkl |
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Users of the data should acknowledge the original authors of the
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