Crystallography Open Database

Information card for entry 4513559

Preview

Coordinates	4513559.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	6-(4-Bromophenyl)indolizino[3,2-c]quinoline
Formula	C21 H13 Br N2
Calculated formula	C21 H13 Br N2
SMILES	Brc1ccc(c2nc3c(c4cc5n(c24)cccc5)cccc3)cc1
Title of publication	When Indolizine Meets Quinoline: Diversity-Oriented Synthesis of New Polyheterocycles and Their Optical Properties.
Authors of publication	Park, Sujin; Kwon, Dah In; Lee, Jeeyeon; Kim, Ikyon
Journal of publication	ACS combinatorial science
Year of publication	2015
Journal volume	17
Journal issue	8
Pages of publication	459 - 469
a	4.1385 ± 0.0004 Å
b	17.8868 ± 0.0019 Å
c	20.726 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1534.2 ± 0.3 Å³
Cell temperature	171 K
Ambient diffraction temperature	171 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1241
Residual factor for significantly intense reflections	0.0951
Weighted residual factors for significantly intense reflections	0.2494
Weighted residual factors for all reflections included in the refinement	0.2696
Goodness-of-fit parameter for all reflections included in the refinement	1.25
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
153917 (current)	2015-09-04	cif/ Adding structures of 4513559 via cif-deposit CGI script.	4513559.cif