Crystallography Open Database

Information card for entry 1560081

Preview

Coordinates	1560081.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H12 F N O
Calculated formula	C19 H12 F N O
SMILES	Fc1ccc(C(=O)n2c3c(c4c2cccc4)cccc3)cc1
Title of publication	Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime
Authors of publication	Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng
Journal of publication	Chemical Science
Year of publication	2021
Journal volume	12
Journal issue	10
Pages of publication	3580 - 3586
a	8.9406 ± 0.0017 Å
b	22.597 ± 0.004 Å
c	7.0302 ± 0.0012 Å
α	90°
β	91.313 ± 0.005°
γ	90°
Cell volume	1419.9 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	297.79 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0879
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.139
Weighted residual factors for all reflections included in the refinement	0.1499
Goodness-of-fit parameter for all reflections included in the refinement	1.144
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
263669 (current)	2021-04-05	cif/ Updating files of 1560078, 1560079, 1560080, 1560081 Original log message: Adding full bibliography for 1560078--1560081.cif.	1560081.cif
260925	2021-01-14	cif/ Adding structures of 1560078, 1560079, 1560080, 1560081 via cif-deposit CGI script.	1560081.cif