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Information card for entry 7203081
Preview
| Coordinates | 7203081.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H27 N O7 P2 |
|---|---|
| Calculated formula | C16 H27 N O7 P2 |
| SMILES | P1(=O)(OCC(CO1)(C)C)C(NP(=O)(OCC)OCC)c1c(O)cccc1 |
| Title of publication | Mannich type reactions of chlorophosphites, phosphoramides and aldehydes (ketones) under solvent-free and catalyst-free conditions—synthesis of N-phosphoramino α-aminophosphonates |
| Authors of publication | Zhang, Jianfeng; Cui, Zhanwei; Wang, Fei; Wang, Yadan; Miao, Zhiwei; Chen, Ruyu |
| Journal of publication | Green Chemistry |
| Year of publication | 2007 |
| Journal volume | 9 |
| Journal issue | 12 |
| Pages of publication | 1341 |
| a | 9.955 ± 0.009 Å |
| b | 10.404 ± 0.009 Å |
| c | 10.839 ± 0.009 Å |
| α | 97.689 ± 0.009° |
| β | 98.771 ± 0.007° |
| γ | 111.382 ± 0.016° |
| Cell volume | 1011 ± 1.5 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0725 |
| Residual factor for significantly intense reflections | 0.0574 |
| Weighted residual factors for significantly intense reflections | 0.1303 |
| Weighted residual factors for all reflections included in the refinement | 0.1388 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.123 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7203081.cif |
| 180361 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/30. |
7203081.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7203081.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7203081.cif |
| 1188 | 2010-06-06 | cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories. |
7203081.cif |
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