Crystallography Open Database

Information card for entry 7155300

Preview

Coordinates	7155300.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H21 F3 N2
Calculated formula	C38 H21 F3 N2
SMILES	FC(F)(F)c1cc2c(c(n3c4c(nc3c2cc1)c1c2c(ccc1)ccc1c2c4ccc1)c1ccccc1)c1ccccc1
Title of publication	Synthesis and photophysics of extended π-conjugated systems of substituted 10-aryl-pyrenoimidazoles.
Authors of publication	Karthik, Shanmugam; Ajantha, Joseph; Nagaraja, C. M.; Easwaramoorthi, Shanmugam; Gandhi, Thirumanavelan
Journal of publication	Organic & biomolecular chemistry
Year of publication	2016
Journal volume	14
Journal issue	43
Pages of publication	10255 - 10266
a	9.5058 ± 0.001 Å
b	16.1683 ± 0.0016 Å
c	17.7882 ± 0.0017 Å
α	90°
β	93.27 ± 0.003°
γ	90°
Cell volume	2729.5 ± 0.5 Å³
Cell temperature	0 ± 2 K
Ambient diffraction temperature	0 ± 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	0.099
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.1757
Weighted residual factors for all reflections included in the refinement	0.1944
Goodness-of-fit parameter for all reflections included in the refinement	1.289
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
188287 (current)	2016-11-08	cif/ Updating files of 7155299, 7155300 Original log message: Adding full bibliography for 7155299--7155300.cif.	7155300.cif
187013	2016-10-07	cif/ Adding structures of 7155299, 7155300 via cif-deposit CGI script.	7155300.cif