Crystallography Open Database

Information card for entry 1572309

Preview

Coordinates	1572309.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H17 B F10 N2 O2
Calculated formula	C39 H17 B F10 N2 O2
Title of publication	Reversible switching from fluorescence to room temperature phosphorescence amplified by exciton-vibration coupling through pressure-induced tiny packing changes.
Authors of publication	Cao, Yangyang; Xu, Zhenzhen; Zhao, Xinyuqi; Yang, Yong; Liu, Haoran; Wang, Pingyang; Yu, Miao; Li, Hao; Fu, Hongbing
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	34
Pages of publication	13930 - 13936
a	11.1573 ± 0.0005 Å
b	15.764 ± 0.0009 Å
c	20.1788 ± 0.001 Å
α	77.015 ± 0.005°
β	77.796 ± 0.004°
γ	81.704 ± 0.004°
Cell volume	3362.7 ± 0.3 Å³
Cell temperature	150.01 ± 0.19 K
Ambient diffraction temperature	150.01 ± 0.19 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0655
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1017
Weighted residual factors for all reflections included in the refinement	0.115
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation probe	x-ray
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
294498 (current)	2024-09-06	cif/ Updating files of 1572309, 1572310 Original log message: Adding full bibliography for 1572309--1572310.cif.	1572309.cif
294036	2024-08-08	cif/ Adding structures of 1572309, 1572310 via cif-deposit CGI script.	1572309.cif