Crystallography Open Database

Information card for entry 4108767

Preview

Coordinates	4108767.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	9,10,19,21-Tetraphenyldiphenanthro[9,10-b:9,10-h]carbazole Bis(1,2-dichloroethane) Solvate
Formula	C64 H45 Cl4 N
Calculated formula	C64 H45 Cl4 N
Title of publication	Configurationally Stable Longitudinally Twisted Polycyclic Aromatic Compounds
Authors of publication	Robert S. Walters; Christina M. Kraml; Neal Byrne; Douglas M. Ho; Qian Qin; Frederick J. Coughlin; Stefan Bernhard; Robert A. Pascal
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	16435 - 16441
a	13.7735 ± 0.0003 Å
b	21.8039 ± 0.0004 Å
c	16.3499 ± 0.0003 Å
α	90°
β	98.217 ± 0.001°
γ	90°
Cell volume	4859.73 ± 0.17 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0697
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for all reflections	0.1268
Weighted residual factors for all reflections included in the refinement	0.1107
Goodness-of-fit parameter for all reflections	1.017
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178833 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/87.	4108767.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108767.cif
57137	2012-05-17	cif/ Adding structures of 4108767 via cif-deposit CGI script.	4108767.cif