Crystallography Open Database

Information card for entry 7242257

Preview

Coordinates	7242257.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H19 N5 O
Calculated formula	C17 H19 N5 O
Title of publication	Synthesis and biological evaluation of the new ring system benzo[f]pyrimido[1,2-d][1,2,3]triazolo[1,5-a][1,4]diazepine and its cycloalkane and cycloalkene condensed analogues
Authors of publication	El Haimer, Mohamed; Palkó, Márta; Haukka, Matti; Gajdács, Márió; Zupkó, István; Fülöp, Ferenc
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	12
Pages of publication	6952 - 6957
a	10.9556 ± 0.0001 Å
b	8.1734 ± 0.0001 Å
c	16.6676 ± 0.0002 Å
α	90°
β	98.876 ± 0.001°
γ	90°
Cell volume	1474.62 ± 0.03 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0357
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.09
Weighted residual factors for all reflections included in the refinement	0.0908
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
261881 (current)	2021-02-11	cif/ Adding structures of 7242255, 7242256, 7242257 via cif-deposit CGI script.	7242257.cif