Crystallography Open Database

Information card for entry 7203688

7203687 << 7203688 >> 7203689

Preview

Coordinates	7203688.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H23 N2 O3
Calculated formula	C16 H23 N2 O3
Title of publication	Intramolecular exchange interactions in non-aromatic bis-nitronyl-nitroxides
Authors of publication	Christophe Stroh; Raymond Ziessel; Gabriele Raudaschl-Sieber; Frank H. Köhler; Philippe Turek
Journal of publication	Journal of Materials Chemistry
Year of publication	2005
Journal volume	15
Journal issue	8
Pages of publication	850
a	11.254 ± 0.0002 Å
b	11.9432 ± 0.0002 Å
c	23.8124 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3200.6 ± 0.12 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.089
Residual factor for significantly intense reflections	0.037
Weighted residual factors for all reflections	0.51
Weighted residual factors for all reflections included in the refinement	0.058
Goodness-of-fit parameter for all reflections	8.845
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180367 (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 7/20/36.	7203688.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203688.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203688.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203688.cif