Crystallography Open Database

Information card for entry 7155299

Preview

Coordinates	7155299.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H24 N2 O2
Calculated formula	C39 H24 N2 O2
SMILES	n1c2n(c(c3ccccc3)c(c3ccccc3)c3c2ccc(c3)C(=O)OC)c2c3c4c5c(c12)cccc5ccc4ccc3
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	10.877 ± 0.005 Å
b	11.117 ± 0.005 Å
c	11.854 ± 0.005 Å
α	97.983 ± 0.005°
β	103.313 ± 0.005°
γ	94.203 ± 0.005°
Cell volume	1373.1 ± 1.1 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	0.0747
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1264
Weighted residual factors for all reflections included in the refinement	0.1413
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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.	7155299.cif
187013	2016-10-07	cif/ Adding structures of 7155299, 7155300 via cif-deposit CGI script.	7155299.cif