Crystallography Open Database

Information card for entry 8100693

Preview

Coordinates	8100693.cif

Structure parameters

Formula	C21 H14 N4
Calculated formula	C21 H14 N4
SMILES	N#CC1([C@@H]2C=CCC(=C\c3ccccc3)/[C@@H](C=C2)C1(C#N)C#N)C#N.N#CC1([C@H]2C=CCC(=C\c3ccccc3)/[C@H](C=C2)C1(C#N)C#N)C#N
Title of publication	Crystal structure of 5-(E)-benzylidenebicyclo[4.2.2]deca-2,7-diene- 9,9,10,10-tetracarbonitrile, C~21~H~14~N~4~
Authors of publication	Gream, G. E.; Kirkbride, P. K.; Tiekink, E. R. T.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2002
Journal volume	217
Journal issue	3
Pages of publication	355 - 356
a	7.63 ± 0.002 Å
b	9.497 ± 0.002 Å
c	12.467 ± 0.002 Å
α	91.92 ± 0.01°
β	99.16 ± 0.01°
γ	101.2 ± 0.02°
Cell volume	872.9 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 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 F_obs	No

Version history

Revision	Date	Message	Files
208360 (current)	2018-06-14	cif/ Updating space group information and adding the symmetry operation list in 156 entries.	8100693.cif
208349	2018-06-14	cif/8/10/06/ Updating _geom_bond_atom_site_label_1 and _geom_bond_atom_site_label_2 data values to establish relationships between rows in different loops in entry 8100693.	8100693.cif
103374	2014-03-03	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8100693.cif
100680	2014-02-06	cif/8/10/ (antanas@lokys.ibt.lt) Added paper volumes.	8100693.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8100693.cif
31972	2012-01-03	cif/ Removing asteriscs (symbols '*') from the names that could be easily processed by Perl, completing biliography in 1/1100665.cif, and manually fixing author names in some entries.	8100693.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.	8100693.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/'	8100693.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	8100693.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.	8100693.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)	8100693.cif