Crystallography Open Database

Information card for entry 7239085

Preview

Coordinates	7239085.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H42 Cl6 N4
Calculated formula	C60 H42 Cl6 N4
Title of publication	A soluble bispentacenequinone precursor for creation of directly 6,6′-linked bispentacenes and a tetracyanobipentacenequinodimethane
Authors of publication	Tanaka, Kazuki; Aratani, Naoki; Kuzuhara, Daiki; Sakamoto, Sadaaki; Okujima, Tetsuo; Ono, Noboru; Uno, Hidemitsu; Yamada, Hiroko
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	35
Pages of publication	15310
a	17.4912 ± 0.0006 Å
b	12.3477 ± 0.0004 Å
c	23.7674 ± 0.0008 Å
α	90°
β	93.302 ± 0.001°
γ	90°
Cell volume	5124.7 ± 0.3 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.0763
Residual factor for significantly intense reflections	0.0685
Weighted residual factors for significantly intense reflections	0.1881
Weighted residual factors for all reflections included in the refinement	0.1949
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
244540 (current)	2019-11-28	cif/ Adding structures of 7239085, 7239086, 7239087, 7239088, 7239089, 7239090, 7239091, 7239092, 7239093 via cif-deposit CGI script.	7239085.cif