Crystallography Open Database

Information card for entry 7160351

Preview

Coordinates	7160351.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H3 N4 O3
Calculated formula	C6 H3 N4 O3
Title of publication	A new tetrazine catalytic system for the synthesis of <i>N</i>-aryl-α-arylated glycine ester derivatives.
Authors of publication	Tu, Shunqi; Chen, Tiantian; Yuan, Zijian; Wang, Jianchun
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	10
Pages of publication	2450 - 2455
a	9.1663 ± 0.0002 Å
b	10.7506 ± 0.0002 Å
c	7.6582 ± 0.0002 Å
α	90°
β	107.38 ± 0.002°
γ	90°
Cell volume	720.21 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0803
Residual factor for significantly intense reflections	0.0746
Weighted residual factors for significantly intense reflections	0.2048
Weighted residual factors for all reflections included in the refinement	0.2122
Goodness-of-fit parameter for all reflections included in the refinement	1.163
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
299060 (current)	2025-04-05	cif/ Updating files of 7160351 Original log message: Adding full bibliography for 7160351.cif.	7160351.cif
297514	2025-01-29	cif/ Adding structures of 7160351 via cif-deposit CGI script.	7160351.cif