Crystallography Open Database

Information card for entry 7116082

Preview

Coordinates	7116082.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	dibenzonaphthyridine
Formula	C23 H16 N2
Calculated formula	C23 H16 N2
SMILES	n1c2c(cc3c(nc4c(c13)cccc4)c1ccc(cc1)C)cccc2
Title of publication	One-pot synthesis of dibenzo[b,h][1,6]naphthyridines from 2-acetylaminobenzaldehyde: application to a fluorescent DNA-binding compound
Authors of publication	Kentaro Okuma; Tomohiro Koga; Saori Ozaki; Yutaro Suzuki; Kenta Horigami; Noriyoshi Nagahora; Kosei Shioji; Masatora Fukuda; Masanobu Deshimaru
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	15525
a	36.98 ± 0.018 Å
b	5.904 ± 0.003 Å
c	15.103 ± 0.007 Å
α	90°
β	90.257 ± 0.009°
γ	90°
Cell volume	3297 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1603
Residual factor for significantly intense reflections	0.0707
Weighted residual factors for significantly intense reflections	0.1356
Weighted residual factors for all reflections included in the refinement	0.172
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180274 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/60.	7116082.cif
129004	2014-12-22	cif/ Adding structures of 7116081, 7116082 via cif-deposit CGI script.	7116082.cif