Crystallography Open Database

Information card for entry 7150663

Preview

Coordinates	7150663.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H29 B F2 N4 O2
Calculated formula	C26 H29 B F2 N4 O2
SMILES	[B]1(F)(F)[n]2c(C)cc(C)c2=C(c2c(C)cc(C)n12)c1ccc(c(c1)NCc1ccccn1)O.CO
Title of publication	A highly selective and sensitive fluorescent turn-on sensor for Hg2+ and its application in live cell imaging
Authors of publication	Lu, Hua; Xiong, Liqin; Liu, Hanzhuang; Yu, Mengxiao; Shen, Zhen; Li, Fuyou; You, Xiaozeng
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2009
Journal volume	7
Journal issue	12
Pages of publication	2554 - 2558
a	14.6725 ± 0.0014 Å
b	10.8383 ± 0.001 Å
c	18.7883 ± 0.0013 Å
α	90°
β	127.732 ± 0.005°
γ	90°
Cell volume	2363 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
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	0.1056
Residual factor for significantly intense reflections	0.0673
Weighted residual factors for significantly intense reflections	0.1892
Weighted residual factors for all reflections included in the refinement	0.2121
Goodness-of-fit parameter for all reflections included in the refinement	0.93
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
180292 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/06.	7150663.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7150663.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7150663.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7150663.cif