Crystallography Open Database

Information card for entry 2022821

2022820 << 2022821 >> 2022822

Preview

Coordinates	2022821.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(<i>E</i>)-1-(2,4-Dimethylfuran-3-yl)-3-phenylprop-2-en-1-one
Formula	C15 H14 O2
Calculated formula	C15 H14 O2
Title of publication	Crystal structure and Hirshfeld surface analysis of (E)-1-(2,4-dimethylfuran-3-yl)-3-phenylprop-2-en-1-one
Authors of publication	Khalilov, Ali N.; Khrustalev, Victor N.; Samigullina, Aida I.; Akkurt, Mehmet; Rzayev, Rovnag M.; Bhattarai, Ajaya; Mamedov, İbrahim G.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2023
Journal volume	79
Journal issue	8
a	5.84787 ± 0.00005 Å
b	12.18109 ± 0.00009 Å
c	16.24568 ± 0.00015 Å
α	90°
β	90°
γ	90°
Cell volume	1157.24 ± 0.017 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0302
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0802
Weighted residual factors for all reflections included in the refinement	0.0806
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
285220 (current)	2023-07-15	cif/ hkl/ Adding structures of 2022821 via cif-deposit CGI script.	2022821.cif