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Information card for entry 8101647
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| Coordinates | 8101647.cif |
|---|
| Formula | C45 H44 B F4 O4 P |
|---|---|
| Calculated formula | C45 H44 B F4 O4 P |
| Title of publication | Crystal structure of (2<i>S</i>,4<i>R</i>,5<i>R</i>,6<i>R</i>)-2- (4,5-dibenzyloxy-6-benzyloxymethyl tetrahydropyranyl)triphenylphosphonium tetrafluoroborate, <i>α</i>-C~45~H~44~PBF~4~O~4~ and of (2<i> R</i>,4<i>R</i>,5<i>R</i>,6<i>R</i>)-2-(4,5-dibenzyloxy-6-benzyloxymethyl tetrahydropyranyl)triphenylphosphonium tetrafluoroborate,<i>β </i>-C~45~H~44~PBF~4~O~4~ |
| Authors of publication | Frey, Wolfgang; Lieberknecht, Albrecht; Griesser, Helmut; Bravo, Rudolfo D.; Colinas, Pedro A.; Grigera, Raul J. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 1998 |
| Journal volume | 213 |
| Journal issue | 4 |
| Pages of publication | 737 - 740 |
| a | 10.175 ± 0.002 Å |
| b | 10.106 ± 0.002 Å |
| c | 38.82 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3991.8 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for significantly intense reflections | 0.1415 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 130149 (current) | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
8101647.cif |
| 102377 | 2014-02-20 | cif/8/10/ (antanas@lokys.ibt.lt) Rearranging tags with cif_filter after updating bibliographic information. |
8101647.cif |
| 102376 | 2014-02-20 | cif/8/10/ (antanas@lokys.ibt.lt) Adding bibliographic information: issue, first page, last page. |
8101647.cif |
| 100566 | 2014-02-06 | cif/8/10/ (antanas@lokys.ibt.lt) Adding volume number. |
8101647.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101647.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
8101647.cif |
| 69 | 2008-01-31 | Correcting 19 more files. |
8101647.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
8101647.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
8101647.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
8101647.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
8101647.cif |
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Users of the data should acknowledge the original authors of the
structural data.