Crystallography Open Database

Information card for entry 8103149

Preview

Coordinates	8103149.cif

Structure parameters

Chemical name	trimethylsulfoxonium phthalimide
Formula	C11 H13 N O3 S
Calculated formula	C11 H13 N O3 S
Title of publication	Crystal structure of trimethylsulfoxonium phthalimide, [C3H9SO][C8H4NO2]
Authors of publication	Eyad Mallah; Qutaiba Abu-Salem; Wael Abu Dayyih; Mohammed Hamad; Manfred Steimann; Caecilia Maichle-Mössmer
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	3
Pages of publication	345
a	8.4446 ± 0.001 Å
b	10.9575 ± 0.0013 Å
c	12.084 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1118.2 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0663
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1038
Weighted residual factors for all reflections included in the refinement	0.108
Goodness-of-fit parameter for all reflections included in the refinement	1.235
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103149.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103149.cif
29127	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103149 via cif-deposit CGI script.	8103149.cif