Crystallography Open Database

Information card for entry 8104735

Preview

Coordinates	8104735.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H19 N O2
Calculated formula	C24 H19 N O2
SMILES	N(=C(\C=C/c1c2ccccc2cc2ccccc12)c1ccc(OC)cc1)\O
Title of publication	Synthesis and crystal structure of (1E,2E)-3-(anthracen-9-yl)-1-(4-methoxyphenyl)prop-2-en-1-one oxime, C24H19NO2
Authors of publication	Usman, Rabia; Khan, Arshad; Al-Hazmi, Ghaferah H.; Refat, Moamen S.; He, Nongyue
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	4
Pages of publication	861 - 862
a	8.358 ± 0.0017 Å
b	10.22 ± 0.002 Å
c	11.227 ± 0.002 Å
α	85.25 ± 0.03°
β	81.35 ± 0.03°
γ	88.72 ± 0.03°
Cell volume	944.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.2018
Residual factor for significantly intense reflections	0.0873
Weighted residual factors for significantly intense reflections	0.1556
Weighted residual factors for all reflections included in the refinement	0.1988
Goodness-of-fit parameter for all reflections included in the refinement	0.981
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
273646 (current)	2022-03-11	cif/ Adding structures of 8104735 via cif-deposit CGI script.	8104735.cif