Crystallography Open Database

Information card for entry 1552739

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Coordinates	1552739.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H32 S2 Si2
Calculated formula	C36 H32 S2 Si2
Title of publication	Short Excited-State Lifetimes Enable Photo-Oxidatively Stable Rubrene Derivatives.
Authors of publication	Ly, Jack; Martin, Kara; Thomas, Simil; Yamashita, Masataka; Yu, Beihang; Pointer, Craig A.; Yamada, Hiroko; Carter, Kenneth R.; Parkin, Sean; Zhang, Lei; Bredas, Jean-Luc; Young, Elizabeth R.; Briseno, Alejandro L.
Journal of publication	The journal of physical chemistry. A
Year of publication	2019
Journal volume	123
Journal issue	35
Pages of publication	7558
a	5.936 ± 0.0002 Å
b	17.1042 ± 0.0006 Å
c	30.6034 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	3107.2 ± 0.2 Å³
Cell temperature	90 ± 0.2 K
Ambient diffraction temperature	90 ± 0.2 K
Number of distinct elements	4
Space group number	57
Hermann-Mauguin space group symbol	P b c m
Hall space group symbol	-P 2c 2b
Residual factor for all reflections	0.1005
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.1506
Weighted residual factors for all reflections included in the refinement	0.1781
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
223168 (current)	2019-11-04	cif/ Adding structures of 1552739 via cif-deposit CGI script.	1552739.cif