Crystallography Open Database

Information card for entry 1568227

Preview

Coordinates	1568227.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H30 S6
Calculated formula	C42 H30 S6
Title of publication	Making multi-twisted luminophores produce persistent room-temperature phosphorescence.
Authors of publication	Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	4
Pages of publication	970 - 978
a	9.6077 ± 0.0002 Å
b	10.2863 ± 0.0002 Å
c	10.6653 ± 0.0002 Å
α	68.438 ± 0.001°
β	76.888 ± 0.001°
γ	65.477 ± 0.001°
Cell volume	888.39 ± 0.03 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0333
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0826
Weighted residual factors for all reflections included in the refinement	0.0845
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	1.34138 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283158 (current)	2023-05-05	cif/ Updating files of 1568224, 1568225, 1568226, 1568227, 1568228, 1568229, 1568230, 1568231, 1568232, 1568233, 1568234, 1568235 Original log message: Adding full bibliography for 1568224--1568235.cif.	1568227.cif
280129	2023-01-06	cif/ Adding structures of 1568224, 1568225, 1568226, 1568227, 1568228 via cif-deposit CGI script.	1568227.cif