Crystallography Open Database

Information card for entry 1573623

Preview

Coordinates	1573623.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	CMB
Formula	C100 H124 F4 N6 O2 S4
Calculated formula	C100 H124 F4 N6 O2 S4
Title of publication	Fluorinated and methylated <i>ortho</i>-benzodipyrrole-based acceptors suppressing charge recombination and minimizing energy loss in organic photovoltaics.
Authors of publication	Wang, Yan-Bo; Tsai, Chia-Lin; Xue, Yung-Jing; Jiang, Bing-Huang; Lu, Han-Cheng; Hong, Jun-Cheng; Huang, Yu-Chi; Huang, Kuo-Hsiu; Chien, Su-Ying; Chen, Chih-Ping; Cheng, Yen-Ju
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	7
Pages of publication	3259 - 3274
a	21.223 ± 0.0004 Å
b	21.3687 ± 0.0005 Å
c	32.1128 ± 0.0006 Å
α	91.951 ± 0.001°
β	91.3666 ± 0.0008°
γ	103.586 ± 0.001°
Cell volume	14140.1 ± 0.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2203
Residual factor for significantly intense reflections	0.1717
Weighted residual factors for significantly intense reflections	0.4293
Weighted residual factors for all reflections included in the refinement	0.4806
Goodness-of-fit parameter for all reflections included in the refinement	1.675
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298141 (current)	2025-03-04	cif/ Updating files of 1573622, 1573623 Original log message: Adding full bibliography for 1573622--1573623.cif.	1573623.cif
297245	2025-01-10	cif/ Adding structures of 1573622, 1573623 via cif-deposit CGI script.	1573623.cif