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Information card for entry 7150727
Preview
| Coordinates | 7150727.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (3S, 5clambda, 8S)-3,8-Dibenzyl-1,6-dioxa-4,9-diaza-5clambda5- phosphaspiro (4.4)-nonane-2,7-dione |
|---|---|
| Chemical name | (3S, 5Λ, 8S)-3,8-Dibenzyl-1,6-dioxa-4,9-diaza-5Λ5-phosphaspiro [4.4]-nonane-2,7-dione |
| Formula | C18 H19 N2 O4 P |
| Calculated formula | C18 H19 N2 O4 P |
| SMILES | O1C(=O)[C@@H](NP21OC(=O)[C@@H](N2)Cc1ccccc1)Cc1ccccc1 |
| Title of publication | Chirality at phosphorus in pentacoordinate spirophosphoranes: stereochemistry by X-ray structure and spectroscopic analysis |
| Authors of publication | Hou, Jian-Bo; Zhang, Hui; Guo, Jian-Nan; Liu, Yan; Xu, Peng-Xiang; Zhao, Yu-Fen; Blackburn, G. Michael |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2009 |
| Journal volume | 7 |
| Journal issue | 15 |
| Pages of publication | 3020 |
| a | 6.0491 ± 0.0004 Å |
| b | 8.3323 ± 0.0005 Å |
| c | 34.349 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1731.3 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0698 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.0629 |
| Weighted residual factors for all reflections included in the refinement | 0.0696 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.892 |
| 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. |
7150727.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150727.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150727.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7150727.cif |
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