Crystallography Open Database

Information card for entry 7126445

Preview

Coordinates	7126445.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H21 B F2 O3
Calculated formula	C20 H21 B F2 O3
Title of publication	A difluoroboron β-diketonate based thermometer with temperature-dependent emission wavelength.
Authors of publication	Wang, Jian-Xin; Yu, Yi-Shuai; Niu, Li-Ya; Zou, Bo; Wang, Kai; Yang, Qing-Zheng
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	46
Pages of publication	6269 - 6272
a	7.1936 ± 0.0015 Å
b	10.205 ± 0.003 Å
c	50.76 ± 0.04 Å
α	90°
β	90°
γ	90°
Cell volume	3726 ± 3 Å³
Cell temperature	399.9 ± 0.3 K
Ambient diffraction temperature	399.9 ± 0.3 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1737
Residual factor for significantly intense reflections	0.1104
Weighted residual factors for significantly intense reflections	0.3171
Weighted residual factors for all reflections included in the refinement	0.3638
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
253795 (current)	2020-07-06	cif/ Updating files of 7126433, 7126434, 7126435, 7126436, 7126437, 7126438, 7126439, 7126440, 7126441, 7126442, 7126443, 7126444, 7126445, 7126446, 7126447 Original log message: Adding full bibliography for 7126433--7126447.cif.	7126445.cif
251061	2020-04-23	cif/ Adding structures of 7126433, 7126434, 7126435, 7126436, 7126437, 7126438, 7126439, 7126440, 7126441, 7126442, 7126443, 7126444, 7126445, 7126446, 7126447 via cif-deposit CGI script.	7126445.cif