Crystallography Open Database

Information card for entry 4339005

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Structure parameters

Formula	C32 H26 N6 O4 S2
Calculated formula	C32 H26 N6 O4 S2
SMILES	S(=O)(=O)(Nc1cc2nc(c(nc2cc1NS(=O)(=O)c1ccc(cc1)C)c1ncccc1)c1ncccc1)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	15.49 ± 0.0006 Å
b	24.4301 ± 0.001 Å
c	19.927 ± 0.0008 Å
α	90°
β	93.187 ± 0.002°
γ	90°
Cell volume	7529.2 ± 0.5 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0929
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.1236
Weighted residual factors for all reflections included in the refinement	0.1321
Goodness-of-fit parameter for all reflections included in the refinement	0.952
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4339005.cif
179493	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.	4339005.cif
152088	2015-07-15	cif/4 Fixing some Z values and formulae	4339005.cif
117063	2014-06-14	cif/ Adding structures of 4339005 via cif-deposit CGI script.	4339005.cif