Crystallography Open Database

Information card for entry 7152659

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Coordinates	7152659.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H6 F3 N3 S
Calculated formula	C13 H6 F2.97 N3 S
Title of publication	A one-pot regioselective synthesis of benzo[d]imidazo[2,1-b]thiazoles.
Authors of publication	Zhang, Xinhai; Jia, Jiong; Ma, Chen
Journal of publication	Organic & biomolecular chemistry
Year of publication	2012
Journal volume	10
Journal issue	39
Pages of publication	7944 - 7948
a	17.79 ± 0.004 Å
b	20.166 ± 0.004 Å
c	6.7371 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	2417 ± 0.9 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	41
Hermann-Mauguin space group symbol	A b a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.076
Weighted residual factors for all reflections included in the refinement	0.0841
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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