Crystallography Open Database

Information card for entry 7154149

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Coordinates	7154149.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 N2 O4 S
Calculated formula	C20 H20 N2 O4 S
Title of publication	Brønsted acid promoted addition-cyclization and C-C bond cleavage: a convenient synthesis of 2-amino-5-aroylmethylthiazoles derivatives.
Authors of publication	Ni, Fan; Yang, Yan; Shu, Wen-Ming; Ma, Jun-Rui; Wu, An-Xin
Journal of publication	Organic & biomolecular chemistry
Year of publication	2014
Journal volume	12
Journal issue	46
Pages of publication	9466
a	12.7896 ± 0.0014 Å
b	13.3917 ± 0.0015 Å
c	13.448 ± 0.0015 Å
α	68.542 ± 0.002°
β	63.471 ± 0.001°
γ	76.053 ± 0.002°
Cell volume	1909.6 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0776
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1323
Weighted residual factors for all reflections included in the refinement	0.1718
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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