Crystallography Open Database

Information card for entry 4339006

Preview

Coordinates	4339006.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H26 N4 O4 S2
Calculated formula	C34 H26 N4 O4 S2
SMILES	S(=O)(=O)(Nc1cc2nc3c4ccccc4c4ccccc4c3nc2cc1NS(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)C
Title of publication	Synthesis, photophysical, and anion-sensing properties of quinoxalinebis(sulfonamide) functionalized receptors and their metal complexes.
Authors of publication	Lin, Tzu-Pin; Chen, Chan-Yu; Wen, Yuh-Sheng; Sun, Shih-Sheng
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	22
Pages of publication	9201 - 9212
a	10.431 ± 0.0002 Å
b	11.9439 ± 0.0003 Å
c	14.7268 ± 0.0003 Å
α	100.209 ± 0.001°
β	98.885 ± 0.001°
γ	108.095 ± 0.001°
Cell volume	1672.82 ± 0.06 Å³
Cell temperature	295 ± 0.2 K
Ambient diffraction temperature	295 ± 0.2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0629
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.0957
Weighted residual factors for all reflections included in the refinement	0.0988
Goodness-of-fit parameter for all reflections included in the refinement	0.938
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
179493 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/90.	4339006.cif
117064	2014-06-14	cif/ Adding structures of 4339006 via cif-deposit CGI script.	4339006.cif