Crystallography Open Database

Information card for entry 7159408

Preview

Coordinates	7159408.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	9'-(2,4-diphenylquinazolin-5-yl)-9'H-9,3':6',9''-tercarbazole
Formula	C56 H35 N5
Calculated formula	C56 H35 N5
Title of publication	<i>ortho</i>-Lithiation driven one-pot synthesis of quinazolines <i>via</i> [2 + 2 + 2] cascade annulation of halofluorobenzenes with nitriles.
Authors of publication	Hsueh, Jen-Chun; Szu, Fu-En; Yu, Yin-Yin; Leung, Man-Kit
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	25
Pages of publication	5297 - 5304
a	13.4479 ± 0.0004 Å
b	14.709 ± 0.0004 Å
c	23.9088 ± 0.0007 Å
α	90°
β	93.8572 ± 0.0013°
γ	90°
Cell volume	4718.6 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
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	0.0608
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.1716
Weighted residual factors for all reflections included in the refinement	0.1771
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
284653 (current)	2023-06-29	cif/ Adding structures of 7159402, 7159403, 7159404, 7159405, 7159406, 7159407, 7159408 via cif-deposit CGI script.	7159408.cif