Crystallography Open Database

Information card for entry 4105530

Preview

Coordinates	4105530.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H42 B2 O4
Calculated formula	C38 H42 B2 O4
SMILES	O1B(OC(C1(C)C)(C)C)c1ccc(/C(=C(c2ccc(B3OC(C(O3)(C)C)(C)C)cc2)/c2ccccc2)c2ccccc2)cc1
Title of publication	Specific Detection of d-Glucose by a Tetraphenylethene-Based Fluorescent Sensor
Authors of publication	Yi Liu; Chunmei Deng; Li Tang; Anjun Qin; Rongrong Hu; Jing Zhi Sun; Ben Zhong Tang
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	660 - 663
a	11.0642 ± 0.0007 Å
b	11.6068 ± 0.0008 Å
c	15.0911 ± 0.0009 Å
α	106.687 ± 0.006°
β	97.085 ± 0.005°
γ	108.966 ± 0.006°
Cell volume	1704.7 ± 0.2 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0827
Residual factor for significantly intense reflections	0.0684
Weighted residual factors for significantly intense reflections	0.183
Weighted residual factors for all reflections included in the refinement	0.1952
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178801 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/55.	4105530.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4105530.cif
52289	2012-04-10	../uploads/cif-deposit/cod/cif Adding structures of 4105530 via cif-deposit CGI script.	4105530.cif