Crystallography Open Database

Information card for entry 4510119

Preview

Coordinates	4510119.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H37 I5 N4 O4 S2
Calculated formula	C30 H37 I5 N4 O4 S2
SMILES	[I-]([I]I)[I]I.O=S(=O)(c1c(C)cc(cc1C)C)Nc1cccc(C)[nH+]1.c1(cccc(C)[nH+]1)[N-]S(=O)(=O)c1c(cc(cc1C)C)C
Title of publication	N-(6-Methyl-2-pyridyl)mesitylenesulfonamide: An Efficient Template for Polyiodides
Authors of publication	Pan, Fangfang; Englert, Ulli
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	3
Pages of publication	1057
a	26.487 ± 0.003 Å
b	5.8297 ± 0.0007 Å
c	25.371 ± 0.003 Å
α	90°
β	101.571 ± 0.003°
γ	90°
Cell volume	3838 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1155
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.0835
Weighted residual factors for all reflections included in the refinement	0.1052
Goodness-of-fit parameter for all reflections included in the refinement	0.994
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
179648 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/01.	4510119.cif
106336	2014-03-15	cif/ Adding structures of 4510115, 4510116, 4510117, 4510118, 4510119, 4510120, 4510121 via cif-deposit CGI script.	4510119.cif