Crystallography Open Database

Information card for entry 7159406

Preview

Coordinates	7159406.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H37 F2 N7
Calculated formula	C61 H37 F2 N7
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	11.6106 ± 0.0002 Å
b	13.7588 ± 0.0003 Å
c	17.4536 ± 0.0004 Å
α	109.387 ± 0.0008°
β	98.5209 ± 0.0008°
γ	93.7331 ± 0.0008°
Cell volume	2581.46 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0459
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.1093
Weighted residual factors for all reflections included in the refinement	0.1128
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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.	7159406.cif