Crystallography Open Database

Information card for entry 1518705

Preview

Coordinates	1518705.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H21 Br N4
Calculated formula	C23 H21 Br N4
Title of publication	Diverse Tandem Cyclization Reactions of o-Cyanoanilines and Diaryliodonium Salts with Copper Catalyst for the Construction of Quinazolinimine and Acridine Scaffolds.
Authors of publication	Pang, Xinlong; Chen, Chao; Su, Xiang; Li, Ming; Wen, Lirong
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	23
Pages of publication	6228
a	13.68 ± 0.004 Å
b	17.357 ± 0.006 Å
c	8.158 ± 0.002 Å
α	90°
β	97.15 ± 0.02°
γ	90°
Cell volume	1922 ± 1 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.1151
Residual factor for significantly intense reflections	0.0624
Weighted residual factors for significantly intense reflections	0.1201
Weighted residual factors for all reflections included in the refinement	0.1424
Goodness-of-fit parameter for all reflections included in the refinement	1.166
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518705.cif
131315	2015-02-07	cif/ Adding structures of 1518705 via cif-deposit CGI script.	1518705.cif