Crystallography Open Database

Information card for entry 7063698

Preview

Coordinates	7063698.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 Cl N O3
Calculated formula	C18 H16 Cl N O3
Title of publication	Elucidating the plant growth potential of triazole conjoined silatrane on Cajanus cajan and its in silico approach
Authors of publication	Singh, Gurjaspreet; Sharma, Devina; Sharma, Samiksha; Stanzin, Jigmat; Kaur, Harshbir; Dalal, Anurag; Vikas,; Batish, Daizy Rani; Pal, Amrit; Alpaslan, Medine Karadağ
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	14
Pages of publication	5871 - 5882
a	12.683 ± 0.0005 Å
b	7.2768 ± 0.0003 Å
c	35.8591 ± 0.0013 Å
α	90°
β	90.636 ± 0.003°
γ	90°
Cell volume	3309.3 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.1085
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1107
Weighted residual factors for all reflections included in the refinement	0.1344
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation probe	x-ray
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
299027 (current)	2025-04-05	cif/ Updating files of 7063698 Original log message: Adding full bibliography for 7063698.cif.	7063698.cif
298489	2025-03-18	cif/ Adding structures of 7063698 via cif-deposit CGI script.	7063698.cif