Crystallography Open Database

Information card for entry 7160424

Preview

Coordinates	7160424.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H15 N3 O2
Calculated formula	C23 H15 N3 O2
Title of publication	Silver-free, palladium-catalyzed arylation of pyrrolo[1,2-<i>a</i>]quinoxaline C-H bonds with aryl bromides.
Authors of publication	Ong, Khanh Thi Ngoc; Nguyen, Ha Thi Thu; Nguyen, Anh Thai; Luu, Vu Huynh; Tran, Dat Huy; Ca, Thuy Thi; Doan, Tan Le Hoang; Nguyen, Hung Huy; Nguyen, Tung Thanh
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	15
Pages of publication	3562 - 3566
a	12.3695 ± 0.0002 Å
b	7.3785 ± 0.0001 Å
c	18.8523 ± 0.0004 Å
α	90°
β	92.702 ± 0.001°
γ	90°
Cell volume	1718.71 ± 0.05 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
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	0.094
Residual factor for significantly intense reflections	0.0598
Weighted residual factors for significantly intense reflections	0.1201
Weighted residual factors for all reflections included in the refinement	0.1506
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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
301154 (current)	2025-07-06	cif/ Updating files of 7160424 Original log message: Adding full bibliography for 7160424.cif.	7160424.cif
298496	2025-03-18	cif/ Adding structures of 7160424 via cif-deposit CGI script.	7160424.cif