Crystallography Open Database

Information card for entry 8101663

Preview

Coordinates	8101663.cif

Structure parameters

Formula	C20 H24 O6
Calculated formula	C20 H24 O6
SMILES	O=C1[C@@]2(O)[C@]3(O)C(=O)C(=C[C@]([C@@](C=C1CC)(C2=O)CC)(C3=O)CC)CC.O=C1[C@]2(O)[C@@]3(O)C(=O)C(=C[C@@]([C@](C=C1CC)(C2=O)CC)(C3=O)CC)CC
Title of publication	Crystal structure of 1,2-dihydroxytricyclo[5.3.1.1^2,6^]dodeca-4,8- dien-3,10,11,12-tetraone, C~20~H~24~O~6~
Authors of publication	Krämer, W.; Geyer, E.; Schollmeyer, D.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	1998
Journal volume	213
Journal issue	4
Pages of publication	785 - 786
a	24.9916 ± 0.0007 Å
b	8.77 ± 0.0003 Å
c	18.4892 ± 0.0004 Å
α	90°
β	117.052 ± 0.002°
γ	90°
Cell volume	3609.04 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.1082
Weighted residual factors for significantly intense reflections	0.2576
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8101663.cif
102373	2014-02-20	cif/8/10/ (antanas@lokys.ibt.lt) Adding bibliographic information: issue, first page, last page.	8101663.cif
100566	2014-02-06	cif/8/10/ (antanas@lokys.ibt.lt) Adding volume number.	8101663.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8101663.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.	8101663.cif
853	2009-11-16	cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion.	8101663.cif
725	2009-05-14	cif/: Fixing the misspelled _atom_site_symetry_multiplicity tag: saulius@delfinas checks/ > pwd /home/saulius/struct/cod/cif/checks saulius@delfinas checks/ > find ../[2-9]/ -name \*.cif \ \| xargs grep -l _atom_site_symetry_multiplicity \ \| xargs -n1 -t \ perl -i -pe 's/_atom_site_symetry_multiplicity/_atom_site_symmetry_multiplicity/'	8101663.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/'	8101663.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	8101663.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.	8101663.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)	8101663.cif