Crystallography Open Database

Information card for entry 1571498

Preview

Coordinates	1571498.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(2<i>E</i>,2'<i>E</i>)-1,1'-([1,1'-Biphenyl]-4,4'-diyl)bis[3-(dimethylamino)prop-2-en-1-one]
Formula	C22 H24 N2 O2
Calculated formula	C22 H24 N2 O2
SMILES	O=C(c1ccc(c2ccc(C(=O)/C=C/N(C)C)cc2)cc1)/C=C/N(C)C
Title of publication	(2E,2′E)-1,1′-([1,1′-Biphenyl]-4,4′-diyl)bis[3-(dimethylamino)prop-2-en-1-one]
Authors of publication	Minagawa, Tomohiro; Sadakiyo, Masaaki
Journal of publication	IUCrData
Year of publication	2024
Journal volume	9
Journal issue	4
a	15.862 ± 0.001 Å
b	6.0503 ± 0.0004 Å
c	19.064 ± 0.0012 Å
α	90°
β	105.287 ± 0.003°
γ	90°
Cell volume	1764.8 ± 0.2 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0909
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.1308
Weighted residual factors for all reflections included in the refinement	0.154
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
291392 (current)	2024-04-27	cif/ Adding structures of 1571498 via cif-deposit CGI script.	1571498.cif