Crystallography Open Database

Information card for entry 7217021

Preview

Coordinates	7217021.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H19 N O3
Calculated formula	C18 N O3
SMILES	O(c1ccc(C(=N\O)/C=C/c2c(OC)cccc2)cc1)CC
Title of publication	Synthesis, Biological Evaluation, and Molecular Docking Studies of Novel Chalcone Oxime Derivatives as Potential Tubulin Polymerization Inhibitors
Authors of publication	Zhu, Hai-Liang; Qi, Jin-Liang; Jiang, Aiqin; Wang, YanTing; Qin, Yajuan; Zhang, YaLiang; Li, YuJing; Rao, Bing; Zhang, YanQing; Yang, MengRu
Journal of publication	RSC Advances
Year of publication	2014
a	5.8357 ± 0.001 Å
b	9.4747 ± 0.0016 Å
c	14.918 ± 0.003 Å
α	72.258 ± 0.005°
β	81.924 ± 0.006°
γ	89.067 ± 0.005°
Cell volume	777.5 ± 0.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1703
Residual factor for significantly intense reflections	0.1252
Weighted residual factors for significantly intense reflections	0.3787
Weighted residual factors for all reflections included in the refinement	0.4085
Goodness-of-fit parameter for all reflections included in the refinement	1.537
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
181910 (current)	2016-04-06	cif/7 Fixing Z values and formulae	7217021.cif
180501	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/70.	7217021.cif
118977	2014-07-04	cif/ Adding structures of 7217021 via cif-deposit CGI script.	7217021.cif