Crystallography Open Database

Information card for entry 2005554

2005553 << 2005554 >> 2005555

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Original IUCr paper	HTML

Structure parameters

Common name	furylbenzothiazol
Chemical name	3,4-bis-(2-benzothiazolyl)furan
Formula	C18 H10 N2 O S2
Calculated formula	C18 H10 N2 O S2
SMILES	s1c(nc2c1cccc2)c1cocc1c1sc2c(n1)cccc2
Title of publication	3,4-Bis(1,3-benzothiazol-2-yl)furan
Authors of publication	Mrvos-Sermek, D.; Tralic-Kulenovic, V.; Nagl, A.; Fiser-Jakic, L.
Journal of publication	Acta Crystallographica Section C
Year of publication	1996
Journal volume	52
Journal issue	10
Pages of publication	2541 - 2543
a	20.753 ± 0.007 Å
b	4.017 ± 0.001 Å
c	17.476 ± 0.003 Å
α	90°
β	93.25 ± 0.02°
γ	90°
Cell volume	1454.5 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0448
Residual factor for significantly intense reflections	0.044
Weighted residual factors for all reflections	0.1088
Weighted residual factors for significantly intense reflections	0.1079
Goodness-of-fit parameter for all reflections	1.036
Goodness-of-fit parameter for significantly intense reflections	1.036
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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