Crystallography Open Database

Information card for entry 1551556

Preview

Coordinates	1551556.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(2E)-1-(Anthracen-9-yl)-3-(3-nitrophenyl)prop-2-en-1-one
Formula	C23 H15 N O3
Calculated formula	C23 H15 N O3
SMILES	c1(N(=O)=O)cccc(c1)/C=C/C(=O)c1c2c(cc3c1cccc3)cccc2
Title of publication	Crystal Structure of (2<i>E</i>)-1-(Anthracen-9-yl)-3-(3-nitrophenyl)prop-2-en-1-one
Authors of publication	RAINA, Ankit; SALIAN, Vinutha V.; NARAYANA, B.; SAROJINI, B. K.; KANT, Rajni
Journal of publication	X-ray Structure Analysis Online
Year of publication	2018
Journal volume	34
Journal issue	0
Pages of publication	5
a	6.9988 ± 0.0007 Å
b	11.4808 ± 0.0011 Å
c	21.7608 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	1748.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n 21 a
Hall space group symbol	P -2ac -2n
Residual factor for all reflections	0.0831
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.0708
Weighted residual factors for all reflections included in the refinement	0.086
Goodness-of-fit parameter for all reflections included in the refinement	0.991
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
216166 (current)	2019-06-20	cif/ Adding structures of 1551556 via cif-deposit CGI script.	1551556.cif