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Information card for entry 7150708
Preview
| Coordinates | 7150708.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | O-(p-nitrobenzoyl)-2-oxo-2-seleno-5,5-dimethyl-1,3,2- dioxaphosphorinan |
|---|---|
| Chemical name | O-(p-nitrobenzoyl)-2-oxo-2-seleno-5,5-dimethyl-1,3,2-dioxaphosphorinan |
| Formula | C12 H14 N O6 P Se |
| Calculated formula | C12 H14 N O6 P Se |
| SMILES | [Se]=P1(OCC(CO1)(C)C)OC(=O)c1ccc(N(=O)=O)cc1 |
| Title of publication | Synthesis and structural investigation of N-acyl selenophosphoramides |
| Authors of publication | Cholewinski, Grzegorz; Chojnacki, Jaroslaw; Pikies, Jerzy; Rachon, Janusz |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2009 |
| Journal volume | 7 |
| Journal issue | 19 |
| Pages of publication | 4095 - 4100 |
| a | 16.4014 ± 0.001 Å |
| b | 7.6161 ± 0.0003 Å |
| c | 12.2729 ± 0.0006 Å |
| α | 90° |
| β | 103.358 ± 0.006° |
| γ | 90° |
| Cell volume | 1491.59 ± 0.14 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0745 |
| Residual factor for significantly intense reflections | 0.0533 |
| Weighted residual factors for significantly intense reflections | 0.1438 |
| Weighted residual factors for all reflections included in the refinement | 0.1524 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180293 (current) | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/07. |
7150708.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150708.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150708.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7150708.cif |
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Users of the data should acknowledge the original authors of the
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