Crystallography Open Database

Information card for entry 7159742

Preview

Coordinates	7159742.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H11 F6 N3
Calculated formula	C17 H11 F6 N3
Title of publication	PCy<sub>3</sub>-assisted Ag(I)-catalyzed click reaction for regioselective synthesis of 1,4-disubstituted 1,2,3-triazoles at room temperature.
Authors of publication	Hazarika, Roktopol; Dutta, Sanghamitra; Sarmah, Samprity; Hazarika, Priyanuj Krishnann; Singh, Kuldeep; Kumar, Arvind; Sarma, Bipul; Sarma, Diganta
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	4
Pages of publication	694 - 698
a	12.664 ± 0.006 Å
b	4.767 ± 0.002 Å
c	27.831 ± 0.013 Å
α	90°
β	103.124 ± 0.011°
γ	90°
Cell volume	1636.3 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0762
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.096
Weighted residual factors for all reflections included in the refinement	0.11
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
289623 (current)	2024-02-04	cif/ Updating files of 7159742, 7159743 Original log message: Adding full bibliography for 7159742--7159743.cif.	7159742.cif
288590	2024-01-01	cif/ Adding structures of 7159742, 7159743 via cif-deposit CGI script.	7159742.cif