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Information card for entry 8101487
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| Coordinates | 8101487.cif |
|---|---|
| External links | ChemSpider |
| Formula | C19 H20 O4 |
|---|---|
| Calculated formula | C19 H20 O4 |
| SMILES | O1[C@@H]2[C@H](OCc3ccccc3)[C@@H](OC2)[C@H]1[C@@H](O)c1ccccc1 |
| Title of publication | Crystal structure of (1S,3S,4R,7S)-7-benzyloxy-3-[(1S)-1-hydroxy-1- phenylmethyl]-2,5-dioxabicyclo[2.2.1]heptane, C19H20O4 |
| Authors of publication | Frey, Wolfgang; Remen, Lubos; Jäger, Volker; Gracza, Tibor |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 1999 |
| Journal volume | 214 |
| Journal issue | 2 |
| Pages of publication | 257 - 258 |
| a | 23.485 ± 0.002 Å |
| b | 23.485 ± 0.002 Å |
| c | 5.807 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3202.8 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin space group symbol | I 43 |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for significantly intense reflections | 0.1064 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202018 (current) | 2017-10-14 | cif/ Marking COD entries in range 8 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
8101487.cif |
| 102501 | 2014-02-21 | cif/8/ (antanas@lokys.ibt.lt) Adding bibliographic information: issue, first page, last page. |
8101487.cif |
| 100411 | 2014-02-06 | cif/8/10/ (antanas@lokys.ibt.lt) Adding volume number. |
8101487.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101487.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. |
8101487.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/' |
8101487.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
8101487.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. |
8101487.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) |
8101487.cif |
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Users of the data should acknowledge the original authors of the
structural data.