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Information card for entry 1506953
Preview
| Coordinates | 1506953.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C56 H34 F24 O3 P2 |
|---|---|
| Calculated formula | C56 H34 F24 O3 P2 |
| SMILES | P(=O)(c1c(c2ccccc2cc1)c1c(P(=O)(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)ccc2ccccc12)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.O(CC)CC |
| Title of publication | Stereospecific deoxygenation of phosphine oxides with retention of configuration using triphenylphosphine or triethyl phosphite as an oxygen acceptor. |
| Authors of publication | Wu, Hai-Chen; Yu, Jin-Quan; Spencer, Jonathan B. |
| Journal of publication | Organic letters |
| Year of publication | 2004 |
| Journal volume | 6 |
| Journal issue | 25 |
| Pages of publication | 4675 - 4678 |
| a | 12.7183 ± 0.0005 Å |
| b | 15.7674 ± 0.0007 Å |
| c | 16.5468 ± 0.0007 Å |
| α | 67.448 ± 0.002° |
| β | 67.65 ± 0.002° |
| γ | 71.824 ± 0.002° |
| Cell volume | 2780.2 ± 0.2 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 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 | 0.1314 |
| Residual factor for significantly intense reflections | 0.0973 |
| Weighted residual factors for significantly intense reflections | 0.2669 |
| Weighted residual factors for all reflections included in the refinement | 0.3056 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1506953.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1506953.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506953.cif |
| 51571 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1506953 via cif-deposit CGI script. |
1506953.cif |
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