Crystallography Open Database

Information card for entry 7100508

Preview

Coordinates	7100508.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	9-(9-Phenanthryl)tetracyclo(3.3.2.0(6,8).0(4,10))dec-2-en
Formula	C24 H20
Calculated formula	C48 H40
SMILES	[C@H]12C=C[C@@H]3[C@H]([C@H]4C[C@@H]14)[C@@H]3[C@H]2c1c2ccccc2c2ccccc2c1.[C@@H]12C=C[C@H]3[C@@H]([C@@H]4C[C@H]14)[C@H]3[C@@H]2c1c2ccccc2c2ccccc2c1
Title of publication	Palladium-catalyzed, stereoselective rearrangement of a tetracyclic allyl cyclopropane under arylation
Authors of publication	Joerg Storsberg; Min-Liang Yao; Nueket Oecal; A.de Meijere; Arnold E.W. Adam; D.E.Kaufmann
Journal of publication	Chemical Communications
Year of publication	2005
a	22.183 ± 0.007 Å
b	6.6592 ± 0.0012 Å
c	22.362 ± 0.006 Å
α	90°
β	92.17 ± 0.02°
γ	90°
Cell volume	3300.9 ± 1.4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	2
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180107 (current)	2016-03-26	cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/05.	7100508.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	7100508.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7100508.cif
20399	2011-06-06	smi/7 A few more SMILES for structures with atoms in special positions. Some CIFS (and sql data) needed minor fixes.	7100508.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.	7100508.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.	7100508.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/'	7100508.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	7100508.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.	7100508.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)	7100508.cif