Crystallography Open Database

Information card for entry 7239091

Preview

Coordinates	7239091.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H52 O
Calculated formula	C56 H52 O
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	11.1984 ± 0.0005 Å
b	11.3073 ± 0.0005 Å
c	16.8154 ± 0.0007 Å
α	73.809 ± 0.001°
β	86.841 ± 0.001°
γ	75.504 ± 0.001°
Cell volume	1979.43 ± 0.15 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0902
Residual factor for significantly intense reflections	0.0697
Weighted residual factors for significantly intense reflections	0.2024
Weighted residual factors for all reflections included in the refinement	0.2343
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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.	7239091.cif