Crystallography Open Database

Information card for entry 7239092

Preview

Coordinates	7239092.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53.33 H40 Br2 Cl1.74 O0.75
Calculated formula	C53.3333 H40 Br2 Cl1.746 O0.751333
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	41.93 ± 0.004 Å
b	15.3835 ± 0.0014 Å
c	18.8623 ± 0.0018 Å
α	90°
β	102.912 ± 0.001°
γ	90°
Cell volume	11859.1 ± 1.9 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
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	0.1482
Residual factor for significantly intense reflections	0.0994
Weighted residual factors for significantly intense reflections	0.279
Weighted residual factors for all reflections included in the refinement	0.3153
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
244540 (current)	2019-11-28	cif/ Adding structures of 7239085, 7239086, 7239087, 7239088, 7239089, 7239090, 7239091, 7239092, 7239093 via cif-deposit CGI script.	7239092.cif