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Information card for entry 8101196
Preview
| Coordinates | 8101196.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C20 H24 O5 |
|---|---|
| Calculated formula | C20 H24 O5 |
| SMILES | o1c(=O)c2[C@@]([C@@H](Oc2c2c(cc(O)cc12)C)C)(C)CC/C=C(CO)/C |
| Title of publication | Crystal structure of 11-hydroxy-5-(5-hydroxy-4-methylpent-3-enyl)- 4,5,13-trimethyl-3,8-dioxatricyclo[7.4.0.0^2,6^]trideca-1(13),2(6), 9(10),11-tetraen-7-one, C~20~H~24~O~5~ |
| Authors of publication | Zukerman-Schpector, J.; Camillo, Robinson L.; Lemos, Francisco C. D.; Truiti, M. C. T.; Sarragiotto, Maria Helena |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2000 |
| Journal volume | 215 |
| Journal issue | 1 |
| Pages of publication | 145 - 146 |
| a | 7.1256 ± 0.001 Å |
| b | 14.871 ± 0.002 Å |
| c | 16.954 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1796.6 ± 0.4 Å3 |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0473 |
| Weighted residual factors for significantly intense reflections | 0.1126 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8101196.cif |
| 209540 | 2018-08-10 | cif/8/10/ Updating bibliography and adding DOIs in entries 8100584, 8100585, 8100586, 8100651, 8100652, 8100653, 8100658, 8100659, 8100726, 8100728, 8100813, 8100841, 8100886, 8100907, 8100910, 8100918, 8101111, 8101196, 8101199, 8101262, 8101357, 8101399, 8101400, 8101401, 8101550, 8101594, 8101619, 8101636, 8101637, 8102002. |
8101196.cif |
| 202018 | 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. |
8101196.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
8101196.cif |
| 102815 | 2014-02-23 | cif/8/10/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101196.cif |
| 100616 | 2014-02-06 | cif/8/10/ (antanas@lokys.ibt.lt) Adding volume number. |
8101196.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101196.cif |
| 17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
8101196.cif |
| 5310 | 2011-01-02 | cif/ Running cif_fix_enum with the core CIF dictionary on COD ranges 2, 8 and 9. Range 9 remained unchanged, and in ranges 2 and 8 there were 17309 modified files, most changes were fixes enumerator case. |
8101196.cif |
| 1037 | 2010-03-15 | Fixed some tags from unrecognised_tag.log list. (only typing errors) |
8101196.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. |
8101196.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/' |
8101196.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
8101196.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. |
8101196.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) |
8101196.cif |
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Users of the data should acknowledge the original authors of the
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