Crystallography Open Database

Information card for entry 7062542

Preview

Coordinates	7062542.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(2Z,2'Z)-3,3'-(anthracene-9,10-diylbis(4,1-phenylene))bis(2-(4-(hexyloxy)phenyl)acrylonitrile)
Formula	C56 H52 N2 O2
Calculated formula	C56 H52 N2 O2
Title of publication	Anthracene-incorporated cyanostilbene based donor–acceptor systems: intramolecular charge transfer and aggregation induced emission
Authors of publication	Femina, Cherumannil; Shanthil, M.; Sajith, Pookkottu K.; Thomas, Reji
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	29
Pages of publication	13810 - 13819
a	6.3607 ± 0.0003 Å
b	7.3751 ± 0.0003 Å
c	24.3886 ± 0.0013 Å
α	83.237 ± 0.002°
β	89.608 ± 0.002°
γ	82.976 ± 0.002°
Cell volume	1127.57 ± 0.09 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.069
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.1649
Weighted residual factors for all reflections included in the refinement	0.1801
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
285472 (current)	2023-08-05	cif/ Updating files of 7062542 Original log message: Adding full bibliography for 7062542.cif.	7062542.cif
284799	2023-07-05	cif/ Adding structures of 7062542 via cif-deposit CGI script.	7062542.cif