Crystallography Open Database

Information card for entry 1557024

Preview

Coordinates	1557024.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H34 S4
Calculated formula	C38 H34 S4
Title of publication	Open-circuit-voltage shift of over 0.5 V in organic photovoltaic cells induced by a minor structural difference in alkyl substituents
Authors of publication	Suzuki, Mitsuharu; Terai, Kengo; Quinton, Cassandre; Hayashi, Hironobu; Aratani, Naoki; Yamada, Hiroko
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	7
Pages of publication	1825 - 1831
a	41.708 ± 0.01 Å
b	5.7563 ± 0.001 Å
c	12.67 ± 0.003 Å
α	90°
β	98.46 ± 0.02°
γ	90°
Cell volume	3008.8 ± 1.2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	3
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	0.1902
Residual factor for significantly intense reflections	0.1043
Weighted residual factors for significantly intense reflections	0.1784
Weighted residual factors for all reflections included in the refinement	0.2208
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
257360 (current)	2020-10-06	cif/ Updating files of 1557024, 1557025, 1557026 Original log message: Adding full bibliography for 1557024--1557026.cif.	1557024.cif
248892	2020-03-05	cif/ Updating files of 1557024, 1557025, 1557026 Original log message: Adding full bibliography for 1557024--1557026.cif.	1557024.cif
246794	2020-01-14	cif/ Adding structures of 1557024, 1557025, 1557026 via cif-deposit CGI script.	1557024.cif