Crystallography Open Database

Information card for entry 7204999

7204998 << 7204999 >> 7205000

Preview

Coordinates	7204999.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,1-bis(1',1',3',3'-tetramethylisoindolin-2'-yloxyl-5'-yl)ethane
Formula	C26 H34 N2 O2
Calculated formula	C26 H32 N2 O2
Title of publication	New isoindoline aminoxyl based polyradicals for spin probes and molecular magnetic materials
Authors of publication	Smith, Craig D.; Bott, Raymond C.; Bottle, Steven E.; Micallef, Aaron S.; Smith, Graham
Journal of publication	Journal of the Chemical Society, Perkin Transactions 2
Year of publication	2002
Journal issue	3
Pages of publication	533
a	12.6113 ± 0.0017 Å
b	16.164 ± 0.002 Å
c	5.8952 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	1201.7 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	34
Hermann-Mauguin space group symbol	P n n 2
Hall space group symbol	P 2 -2n
Residual factor for all reflections	0.0771
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1723
Weighted residual factors for all reflections included in the refinement	0.1824
Goodness-of-fit parameter for all reflections included in the refinement	1.425
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180380 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/49.	7204999.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7204999.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7204999.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7204999.cif
4035	2010-12-16	../uploads/cif-deposit/cod/cif Adding structures of 7204999 via cif-deposit CGI script.	7204999.cif