Crystallography Open Database

Information card for entry 1520754

1520753 << 1520754 >> 1520755

Preview

Coordinates	1520754.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H21 N O3 S2
Calculated formula	C23 H21 N O3 S2
Title of publication	Facile synthesis of 2,5-disubstituted thiazoles from terminal alkynes, sulfonyl azides, and thionoesters.
Authors of publication	Miura, Tomoya; Funakoshi, Yuuta; Fujimoto, Yoshikazu; Nakahashi, Junki; Murakami, Masahiro
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	10
Pages of publication	2454 - 2457
a	7.667 ± 0.0006 Å
b	8.7269 ± 0.0006 Å
c	17.0497 ± 0.0013 Å
α	88.1161 ± 0.0018°
β	89.15 ± 0.002°
γ	62.1966 ± 0.0018°
Cell volume	1008.54 ± 0.13 Å³
Cell temperature	108 ± 2 K
Ambient diffraction temperature	108 ± 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	0.0862
Residual factor for significantly intense reflections	0.0681
Weighted residual factors for significantly intense reflections	0.1743
Weighted residual factors for all reflections included in the refinement	0.1959
Goodness-of-fit parameter for all reflections included in the refinement	1.129
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1520754.cif
140042	2015-07-05	cif/ Adding structures of 1520754 via cif-deposit CGI script.	1520754.cif