Crystallography Open Database

Information card for entry 7217020

Preview

Coordinates	7217020.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H19 N O3
Calculated formula	C18 H19 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	5.8593 ± 0.0008 Å
b	9.5104 ± 0.0012 Å
c	14.924 ± 0.002 Å
α	71.852 ± 0.004°
β	81.981 ± 0.004°
γ	89.066 ± 0.004°
Cell volume	782.21 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1838
Residual factor for significantly intense reflections	0.1588
Weighted residual factors for significantly intense reflections	0.4646
Weighted residual factors for all reflections included in the refinement	0.4894
Goodness-of-fit parameter for all reflections included in the refinement	2.07
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
180501 (current)	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.	7217020.cif
118976	2014-07-04	cif/ Adding structures of 7217018, 7217019, 7217020 via cif-deposit CGI script.	7217020.cif