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Information card for entry 8100260
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| Coordinates | 8100260.cif |
|---|
| Formula | C22 H24 O4 |
|---|---|
| Calculated formula | C22 H24 O4 |
| SMILES | O1C[C@H]([C@@]([C@H]1CO)(C(=O)c1ccccc1)C)[C@H](C(=O)c1ccccc1)C.O1C[C@@H]([C@]([C@@H]1CO)(C(=O)c1ccccc1)C)[C@@H](C(=O)c1ccccc1)C |
| Title of publication | Crystal structure of (±)-(2R)-2-[(3S,4S,5S)-4-benzoyl-5-hydroxymethyl- 4-methyltetrahydro-3-furanyl]-1-phenylpropan-1-one, C~22~H~24~O~4~ |
| Authors of publication | Greatrex, B. W.; Kimber, M. C.; Taylor, D. K.; Tiekink, E. R. T. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2003 |
| Journal volume | 218 |
| Journal issue | 1 |
| Pages of publication | 63 - 64 |
| a | 6.1275 ± 0.0006 Å |
| b | 11.2476 ± 0.0011 Å |
| c | 13.4535 ± 0.0013 Å |
| α | 88.393 ± 0.002° |
| β | 81.42 ± 0.002° |
| γ | 79.313 ± 0.002° |
| Cell volume | 900.93 ± 0.15 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| 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. |
8100260.cif |
| 103382 | 2014-03-04 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8100260.cif |
| 100883 | 2014-02-08 | cif/8/10/ (antanas@lokys.ibt.lt) Adding volume numbers, changing journal name to a more informative one. |
8100260.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8100260.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. |
8100260.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/' |
8100260.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
8100260.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. |
8100260.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) |
8100260.cif |
All data in the COD and the database itself are dedicated to the
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CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.