Crystallography Open Database

Information card for entry 1570150

Preview

Coordinates	1570150.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C116 H154 F2 N2 O4 S12 Si2
Calculated formula	C116 H154 F2 N2 O4 S12 Si2
Title of publication	Regulating the reorganization energy and crystal packing of small-molecule donors enables the high performance of binary all-small-molecule organic solar cells with a slow film growth rate
Authors of publication	Xu, Tongle; Lv, Jie; Zheng, Daming; Luo, Zhenghui; Jee, Min Hun; Ran, Guangliu; Chen, Zhanxiang; Huang, Zhongyan; Ren, Jiaqi; Li, Yuxiang; Zhang, Cai’e; Hu, Hanlin; Pauporté, Thierry; Zhang, Wenkai; Woo, Han Young; Yang, Chuluo
Journal of publication	Energy & Environmental Science
Year of publication	2023
Journal volume	16
Journal issue	12
Pages of publication	5933 - 5943
a	12.5553 ± 0.0004 Å
b	14.6952 ± 0.0004 Å
c	16.332 ± 0.0005 Å
α	82.201 ± 0.001°
β	85.712 ± 0.001°
γ	75.234 ± 0.001°
Cell volume	2884.29 ± 0.15 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0641
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.135
Weighted residual factors for all reflections included in the refinement	0.148
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
288814 (current)	2024-01-06	cif/ Updating files of 1570150, 1570151 Original log message: Adding full bibliography for 1570150--1570151.cif.	1570150.cif
287025	2023-10-19	cif/ Adding structures of 1570150, 1570151 via cif-deposit CGI script.	1570150.cif