Crystallography Open Database

Information card for entry 4003885

Preview

Coordinates	4003885.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H32 N4 S4
Calculated formula	C30 H32 N4 S4
Title of publication	N-type Semiconducting Polymers Based on Dicyano Naphthobisthiadiazole: High Electron Mobility with Unfavorable Backbone Twist
Authors of publication	Iguchi, Keitaro; Mikie, Tsubasa; Saito, Masahiko; Komeyama, Kimihiro; Seo, Takuji; Ie, Yutaka; Osaka, Itaru
Journal of publication	Chemistry of Materials
Year of publication	2021
Journal volume	33
Journal issue	6
Pages of publication	2218 - 2228
a	4.6536 ± 0.0005 Å
b	16.9349 ± 0.0016 Å
c	18.5594 ± 0.0018 Å
α	108.705 ± 0.001°
β	94.538 ± 0.001°
γ	97.258 ± 0.001°
Cell volume	1363.1 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0598
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0847
Weighted residual factors for all reflections included in the refinement	0.0939
Goodness-of-fit parameter for all reflections included in the refinement	0.984
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKa
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
263593 (current)	2021-04-04	cif/ Updating files of 4003884, 4003885 Original log message: Adding full bibliography for 4003884--4003885.cif.	4003885.cif
262946	2021-03-10	cif/ Adding structures of 4003885 via cif-deposit CGI script.	4003885.cif