Crystallography Open Database

Information card for entry 7236660

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Coordinates	7236660.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	PBI
Chemical name	Perylene bisimide
Formula	C41 H34 Cl2 N2 O4 S
Calculated formula	C41 H34 Cl2 N2 O4 S
Title of publication	Modulation of the power conversion efficiency of organic solar cells via architectural variation of a promising non-fullerene acceptor
Authors of publication	Mishra, Ruchika; Regar, Ramprasad; Singh, Varun; Panini, Piyush; Singhal, Rahul; Keshtov, M. L.; Sharma, Ganesh D.; Sankar, Jeyaraman
Journal of publication	Journal of Materials Chemistry A
Year of publication	2018
Journal volume	6
Journal issue	2
Pages of publication	574
a	17.987 ± 0.007 Å
b	7.44 ± 0.002 Å
c	27.623 ± 0.01 Å
α	90°
β	105.357 ± 0.013°
γ	90°
Cell volume	3565 ± 2 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2004
Residual factor for significantly intense reflections	0.167
Weighted residual factors for significantly intense reflections	0.4684
Weighted residual factors for all reflections included in the refinement	0.4976
Goodness-of-fit parameter for all reflections included in the refinement	2.313
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
236395 (current)	2019-11-24	cif/ Adding structures of 7236659, 7236660 via cif-deposit CGI script.	7236660.cif