Crystallography Open Database

Information card for entry 7215446

Preview

Coordinates	7215446.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H96.3 Cl N32 O34.15
Calculated formula	C56 H59 N32 O34.15
Title of publication	Cucurbituril-assisted transformation of nitronyl nitroxide into imino nitroxide in the solid state
Authors of publication	Vostrikova, Kira E.; Peresypkina, Eugenia V.; Drebushchak, Valery A.
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	9
Pages of publication	3241
a	15.4845 ± 0.0004 Å
b	20.3081 ± 0.0006 Å
c	27.13 ± 0.0008 Å
α	90°
β	98.873 ± 0.002°
γ	90°
Cell volume	8429.2 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1282
Residual factor for significantly intense reflections	0.1068
Weighted residual factors for significantly intense reflections	0.2896
Weighted residual factors for all reflections included in the refinement	0.3108
Goodness-of-fit parameter for all reflections included in the refinement	1.222
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7215446.cif
111952	2014-04-28	cif/ Adding structures of 7215446 via cif-deposit CGI script.	7215446.cif