Crystallography Open Database

Information card for entry 7241168

Preview

Coordinates	7241168.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H19 Br N O P S
Calculated formula	C27 H19 Br N O P S
Title of publication	Copper(ii)-catalyzed tandem cyclization for the synthesis of benzo[d][1,3]thiazin-2-yl phosphonates involving C‒P and C‒S bond formation
Authors of publication	Liu, Yang; Yao, Shijie; Wang, Chaoli; Zhang, Yahui; Hao, Wenyan
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	53
Pages of publication	32211 - 32215
a	8.7427 ± 0.0006 Å
b	11.4201 ± 0.0007 Å
c	12.4832 ± 0.0009 Å
α	82.935 ± 0.006°
β	73.455 ± 0.007°
γ	75.613 ± 0.006°
Cell volume	1155.45 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0705
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1157
Weighted residual factors for all reflections included in the refinement	0.1287
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
258006 (current)	2020-10-06	cif/ Updating files of 7241168 Original log message: Adding full bibliography for 7241168.cif.	7241168.cif
255798	2020-09-02	cif/ Adding structures of 7241168 via cif-deposit CGI script.	7241168.cif