Crystallography Open Database

Information card for entry 4518798

Preview

Coordinates	4518798.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H13 N5
Calculated formula	C21 H13 N5
Title of publication	TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives.
Authors of publication	Ibrahim, Hamada Mohamed; Behbehani, Haider
Journal of publication	ACS omega
Year of publication	2021
Journal volume	6
Journal issue	24
Pages of publication	16086 - 16099
a	18.444 ± 0.002 Å
b	12.6807 ± 0.0012 Å
c	6.8046 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1591.5 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0756
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for significantly intense reflections	0.1728
Weighted residual factors for all reflections included in the refinement	0.1781
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
266964 (current)	2021-07-04	cif/ Updating files of 4518794, 4518795, 4518796, 4518797, 4518798, 4518799, 4518800 Original log message: Adding full bibliography for 4518794--4518800.cif.	4518798.cif
266319	2021-06-10	cif/ Adding structures of 4518798 via cif-deposit CGI script.	4518798.cif