Crystallography Open Database

Information card for entry 2311571

Preview

Coordinates	2311571.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(2<i>E</i>,2'<i>E</i>)-3,3'-(1,4-phenylene)bis[1-(4-hydroxyphenyl)prop-2-en-1-one] <i>N</i>,<i>N</i>-dimethylformamide disolvate
Formula	C30 H32 N2 O6
Calculated formula	C30 H32 N2 O6
SMILES	c1cc(ccc1C(=O)/C=C/c1ccc(cc1)/C=C/C(=O)c1ccc(cc1)O)O.N(C=O)(C)C.CN(C)C=O
Title of publication	Synthesis, spectroscopic and Hirshfeld surface analysis and fluorescence studies of (2<i>E</i>,2'<i>E</i>)-3,3'-(1,4-phenyl-ene)bis-[1-(4-hy-droxy-phen-yl)prop-2-en-1-one] <i>N</i>,<i>N</i>-di-methyl-formamide disolvate.
Authors of publication	Kwong, Huey Chong; Sim, Ai Jia; Chidan Kumar, C. S.; Quah, Ching Kheng; Chantrapromma, Suchada; Naveen, S.; Warad, Ismail
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2018
Journal volume	74
Journal issue	Pt 6
Pages of publication	835 - 839
a	6.0569 ± 0.0005 Å
b	9.5801 ± 0.0005 Å
c	11.9941 ± 0.0008 Å
α	72.867 ± 0.002°
β	84.649 ± 0.002°
γ	86.71 ± 0.002°
Cell volume	661.86 ± 0.08 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 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	0.0927
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.156
Weighted residual factors for all reflections included in the refinement	0.1771
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
245993 (current)	2019-12-25	cif/ Adding structures of 2311571 via cif-deposit CGI script.	2311571.cif