Crystallography Open Database

Information card for entry 7159271

Preview

Coordinates	7159271.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H18 N6 O
Calculated formula	C19 H18 N6 O
Title of publication	3,4-Diaminopyrazolo[3,4-<i>d</i>]pyrimidines: a new three-component microwave-assisted synthesis and anti-leukemic properties.
Authors of publication	Ng, Jia Hui; Lim, Felicia Phei Lin; Tiekink, Edward R. T.; Dolzhenko, Anton V.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	16
Pages of publication	3432 - 3446
a	17.7089 ± 0.0001 Å
b	14.164 ± 0.0001 Å
c	6.7592 ± 0.0001 Å
α	90°
β	98.5 ± 0.001°
γ	90°
Cell volume	1676.78 ± 0.03 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.038
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.09
Weighted residual factors for all reflections included in the refinement	0.0924
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
283440 (current)	2023-05-05	cif/ Updating files of 7159271, 7159272, 7159273, 7159274 Original log message: Adding full bibliography for 7159271--7159274.cif.	7159271.cif
282363	2023-04-05	cif/ Adding structures of 7159271, 7159272, 7159273, 7159274 via cif-deposit CGI script.	7159271.cif