Crystallography Open Database

Information card for entry 1572932

Preview

Coordinates	1572932.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H11 B S3
Calculated formula	C20 H11 B S3
SMILES	B12c3c(Sc4c5c(sc14)cccc5)cccc3Sc1ccccc21
Title of publication	Multi-resonance emitters with room-temperature phosphorescence in amorphous state and excited by visible light.
Authors of publication	Du, Baoyun; Wu, Yuliang; Wang, Xingdong; Tian, Hongkun; Shao, Shiyang; Wang, Lixiang
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	46
Pages of publication	19432 - 19442
a	3.9616 ± 0.0002 Å
b	19.677 ± 0.0011 Å
c	19.981 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1557.57 ± 0.14 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1268
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.1252
Weighted residual factors for all reflections included in the refinement	0.1575
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
296413 (current)	2024-12-06	cif/ Updating files of 1572931, 1572932, 1572933, 1572934, 1572935, 1572936 Original log message: Adding full bibliography for 1572931--1572936.cif.	1572932.cif
295607	2024-10-25	cif/ Adding structures of 1572931, 1572932, 1572933, 1572934, 1572935, 1572936 via cif-deposit CGI script.	1572932.cif