Crystallography Open Database

Information card for entry 4512423

Preview

Coordinates	4512423.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H15 N O2
Calculated formula	C18 H15 N O2
SMILES	n1c2OC3C(=Cc2cc2c1cccc2)C(=O)CC(C=3)(C)C
Title of publication	Efficient synthesis and evaluation of antitumor activities of novel functionalized 1,8-naphthyridine derivatives.
Authors of publication	Fu, Lei; Feng, Xian; Wang, Jian-Jun; Xun, Zhan; Hu, Jun-Die; Zhang, Juan-Juan; Zhao, Yan-Wei; Huang, Zhi-Bin; Shi, Da-Qing
Journal of publication	ACS combinatorial science
Year of publication	2015
Journal volume	17
Journal issue	1
Pages of publication	24 - 31
a	15.516 ± 0.0016 Å
b	7.516 ± 0.0008 Å
c	12.331 ± 0.0012 Å
α	90°
β	92.523 ± 0.001°
γ	90°
Cell volume	1436.6 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.1259
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.09
Weighted residual factors for all reflections included in the refinement	0.1047
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
179671 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/24.	4512423.cif
130423	2015-02-04	cif/ Updating files of 4512423, 4512424 Original log message: Adding full bibliography for 4512423--4512424.cif.	4512423.cif
128175	2014-12-06	cif/ Adding structures of 4512423 via cif-deposit CGI script.	4512423.cif