Crystallography Open Database

Information card for entry 2019418

2019417 << 2019418 >> 2019419

Preview

Coordinates	2019418.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	2,5-Bis{2-methyl-5-[2-(pyridin-3-yl)ethenyl]phenyl}-1,3,4-oxadiazole
Formula	C30 H20 N4 O
Calculated formula	C30 H20 N4 O
SMILES	Cc1ccc(cc1c1nnc(o1)c1cc(ccc1C)C#Cc1cccnc1)C#Cc1cccnc1
Title of publication	`0'- and `8'-shaped complexes generated from a nano-sized oxadiazole-containing organic ligand with CdI~2~ and CuI
Authors of publication	Liu, Zhao-Cai; Liu, Qi-Kui; Li, Yan-An; Ma, Jian-Ping; Dong, Yu-Bin
Journal of publication	Acta Crystallographica Section C
Year of publication	2014
Journal volume	70
Journal issue	1
Pages of publication	31 - 36
a	16.5 ± 0.006 Å
b	11.356 ± 0.004 Å
c	24.656 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	4620 ± 3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0635
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.1032
Weighted residual factors for all reflections included in the refinement	0.1169
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	2019418.cif
104787	2014-03-11	cif/ hkl/ Adding structures of 2019418, 2019419, 2019420 via cif-deposit CGI script.	2019418.cif