Crystallography Open Database

Information card for entry 8100062

Preview

Coordinates	8100062.cif

Structure parameters

Formula	C20 H18 O8
Calculated formula	C20 H18 O8
SMILES	O=C1[C@@]2(O)C(C(=O)C)(C(=O)C)[C@H](C(C(=O)OC)=C2c2c1cccc2)C(=O)OC.O=C1[C@]2(O)C(C(=O)C)(C(=O)C)[C@@H](C(C(=O)OC)=C2c2c1cccc2)C(=O)OC
Title of publication	Crystal structure of dimethyl 1,1-diacetyl-8a-hydroxy-8-oxo-1,2,8, 8a-tetrahydrocyclopenta[a]indene-2,3-dicarboxylate, C~20~H~18~O~8~
Authors of publication	Ramazani, Ali
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2004
Journal volume	219
Journal issue	2
Pages of publication	177 - 178
a	19.06 ± 0.004 Å
b	35.937 ± 0.007 Å
c	10.5708 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	7241 ± 3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	3
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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.	8100062.cif
106806	2014-03-17	cif/8/10/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8100062.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8100062.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' ) &	8100062.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.	8100062.cif
71	2008-02-01	20 CIFs fixed	8100062.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/'	8100062.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	8100062.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.	8100062.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)	8100062.cif