Crystallography Open Database

Information card for entry 2311509

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Structure parameters

Chemical name	(2<i>E</i>,2'<i>E</i>)-3,3'-(1,4-Phenylene)bis[1-(2,4-difluorophenyl)prop-2-en-1-one]
Formula	C24 H14 F4 O2
Calculated formula	C24 H14 F4 O2
Title of publication	Crystal structure and Hirshfeld surface analysis of (2<i>E</i>,2'<i>E</i>)-3,3'-(1,4-phenyl-ene)bis-[1-(2,4-di-fluoro-phen-yl)prop-2-en-1-one].
Authors of publication	Kwong, Huey Chong; Sim, Aijia; Chidan Kumar, C. S.; Then, Li Yee; Win, Yip-Foo; Quah, Ching Kheng; Naveen, S.; Warad, Ismail
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 12
Pages of publication	1812 - 1816
a	12.19 ± 0.006 Å
b	5.972 ± 0.003 Å
c	38.17 ± 0.02 Å
α	90°
β	98.013 ± 0.01°
γ	90°
Cell volume	2752 ± 2 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 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	0.1193
Residual factor for significantly intense reflections	0.0763
Weighted residual factors for significantly intense reflections	0.1874
Weighted residual factors for all reflections included in the refinement	0.2329
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
301809 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/31/ Each referenced PubChem compound corresponds to the full crystal structure.	2311509.cif
245944	2019-12-25	cif/ Adding structures of 2311509 via cif-deposit CGI script.	2311509.cif