Crystallography Open Database

Information card for entry 1554651

Preview

Coordinates	1554651.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 B F2 N3 O
Calculated formula	C20 H22 B F2 N3 O
SMILES	[B]1(F)(F)[n]2c(C)cc(c2=C(c2c(cc(C)n12)C)C(=O)c1c(cc(C)[nH]1)C)C
Title of publication	A novel family of AIE-active meso-2-ketopyrrolyl BODIPYs: bright solid-state red fluorescence, morphological properties and application as viscosimeters in live cells
Authors of publication	Yu, Changjiang; Huang, Zhenlong; Gu, Wei; Wu, Qinghua; Hao, Erhong; Xiao, Yi; Jiao, Lijuan; Wong, Wai-Yeung
Journal of publication	Materials Chemistry Frontiers
Year of publication	2019
Journal volume	3
Journal issue	9
Pages of publication	1823
a	12.8894 ± 0.0018 Å
b	9.0135 ± 0.0012 Å
c	31.806 ± 0.004 Å
α	90°
β	93.146 ± 0.002°
γ	90°
Cell volume	3689.6 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0618
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.13
Weighted residual factors for all reflections included in the refinement	0.1441
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
238026 (current)	2019-11-24	cif/ Adding structures of 1554651, 1554652, 1554653 via cif-deposit CGI script.	1554651.cif