Crystallography Open Database

Information card for entry 7226019

Preview

Coordinates	7226019.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	6,15-Dihexyl-7,16-diphenyl-6,15-dihydroindeno[1,2-b]indeno[2',1':5,6]indolo[2,3-h]carbazole-9,18-dione
Formula	C56 H48 N2 O2
Calculated formula	C56 H48 N2 O2
Title of publication	A new synthetic approach to fused nine-ring systems of the indolo[3,2-b]carbazole family through double Pd-catalyzed intramolecular C‒H arylation
Authors of publication	Irgashev, Roman A.; Kazin, Nikita A.; Kim, Grigory A.; Rusinov, Gennady L.; Charushin, Valery N.
Journal of publication	RSC Adv.
Year of publication	2016
Journal volume	6
Journal issue	74
Pages of publication	70106
a	10.9788 ± 0.0008 Å
b	25.286 ± 0.003 Å
c	16.0994 ± 0.0007 Å
α	90°
β	100.188 ± 0.006°
γ	90°
Cell volume	4398.9 ± 0.6 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1733
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.1632
Weighted residual factors for all reflections included in the refinement	0.2204
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
184644 (current)	2016-07-23	cif/ Adding structures of 7226019 via cif-deposit CGI script.	7226019.cif