Crystallography Open Database

Information card for entry 1568233

Preview

Coordinates	1568233.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H54 O12 S6
Calculated formula	C60 H54 O12 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	20.7715 ± 0.0012 Å
b	6.2243 ± 0.0003 Å
c	22.3727 ± 0.0012 Å
α	90°
β	94.032 ± 0.003°
γ	90°
Cell volume	2885.4 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.0703
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.1562
Weighted residual factors for all reflections included in the refinement	0.1655
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	1.34138 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
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.	1568233.cif
280130	2023-01-06	cif/ Adding structures of 1568229, 1568230, 1568231, 1568232, 1568233, 1568234, 1568235 via cif-deposit CGI script.	1568233.cif