Crystallography Open Database

Information card for entry 1552932

Preview

Coordinates	1552932.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 S2
Calculated formula	C20 H18 S2
Title of publication	Meta-analysis: the molecular organization of non-fullerene acceptors
Authors of publication	Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham
Journal of publication	Materials Horizons
Year of publication	2020
Journal volume	7
Journal issue	4
Pages of publication	1062 - 1072
a	8.429 ± 0.0002 Å
b	9.714 ± 0.0003 Å
c	11.076 ± 0.0003 Å
α	82.096 ± 0.002°
β	69.206 ± 0.002°
γ	76.828 ± 0.002°
Cell volume	823.92 ± 0.04 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0668
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1041
Weighted residual factors for all reflections included in the refinement	0.1155
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258154 (current)	2020-10-06	cif/ Updating files of 1552926, 1552927, 1552928, 1552929, 1552930, 1552931, 1552932, 1552933, 1552934 Original log message: Adding full bibliography for 1552926--1552934.cif.	1552932.cif
251743	2020-05-05	cif/ Updating files of 1552926, 1552927, 1552928, 1552929, 1552930, 1552931, 1552932, 1552933, 1552934 Original log message: Adding full bibliography for 1552926--1552934.cif.	1552932.cif
231030	2019-11-19	cif/ Adding structures of 1552926, 1552927, 1552928, 1552929, 1552930, 1552931, 1552932, 1552933, 1552934 via cif-deposit CGI script.	1552932.cif