Crystallography Open Database

Information card for entry 7126444

Preview

Coordinates	7126444.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H15 B F2 O3
Calculated formula	C17 H15 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	7.7481 ± 0.0004 Å
b	19.1442 ± 0.0007 Å
c	10.2334 ± 0.0004 Å
α	90°
β	103.133 ± 0.004°
γ	90°
Cell volume	1478.23 ± 0.11 Å³
Cell temperature	199.98 ± 0.1 K
Ambient diffraction temperature	199.98 ± 0.1 K
Number of distinct elements	5
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	0.0612
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.1124
Weighted residual factors for all reflections included in the refinement	0.1211
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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.	7126444.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.	7126444.cif