Crystallography Open Database

Information card for entry 7237696

Preview

Coordinates	7237696.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H21 B F2 N2 O
Calculated formula	C21 H21 B F2 N2 O
Title of publication	Identification of fatty liver disease at diverse stages using two-photon absorption of triphenylamine-based BODIPY analogues
Authors of publication	Shao, Tao; Liu, Tianyan; Liu, Hui; Zhang, Mingzhu; Shen, Yu; Gao, Awei; Tian, Xiaohe; Zhang, Qiong; Wu, Jieying; Tian, Yupeng
Journal of publication	Journal of Materials Chemistry B
Year of publication	2019
Journal volume	7
Journal issue	23
Pages of publication	3704
a	10.8533 ± 0.0014 Å
b	11.2855 ± 0.0015 Å
c	15.709 ± 0.002 Å
α	101.368 ± 0.002°
β	91.808 ± 0.002°
γ	96.518 ± 0.002°
Cell volume	1871.3 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.0763
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1632
Weighted residual factors for all reflections included in the refinement	0.1835
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
238536 (current)	2019-11-24	cif/ Adding structures of 7237695, 7237696 via cif-deposit CGI script.	7237696.cif