Crystallography Open Database

Information card for entry 4514371

Preview

Coordinates	4514371.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H36 N2 O8
Calculated formula	C36 H36 N2 O8
SMILES	C(=O)(c1c(O)cc(cc1)C(=C\C=C(/c1cc(c(C(=O)O)cc1)O)c1ccccc1)/c1ccccc1)O.N(C=O)(C)C.N(C=O)(C)C
Title of publication	Tailoring the Fluorescence of AIE-Active Metal-Organic Frameworks for Aqueous Sensing of Metal Ions.
Authors of publication	Li, Qiyang; Wu, Xiuju; Huang, Xiaoli; Deng, Yangjun; Chen, Nanjian; Jiang, Dandan; Zhao, Lili; Lin, Zhihua; Zhao, Yonggang
Journal of publication	ACS applied materials & interfaces
Year of publication	2018
Journal volume	10
Journal issue	4
Pages of publication	3801 - 3809
a	7.488 ± 0.004 Å
b	8.51 ± 0.004 Å
c	13.655 ± 0.007 Å
α	90.845 ± 0.005°
β	103.081 ± 0.005°
γ	100.918 ± 0.006°
Cell volume	830.7 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.122
Residual factor for significantly intense reflections	0.0657
Weighted residual factors for significantly intense reflections	0.1844
Weighted residual factors for all reflections included in the refinement	0.2167
Goodness-of-fit parameter for all reflections included in the refinement	1.13
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
206109 (current)	2018-02-04	cif/ Updating files of 4514370, 4514371, 4514372 Original log message: Adding full bibliography for 4514370--4514372.cif.	4514371.cif
205642	2018-01-26	cif/ Adding structures of 4514371 via cif-deposit CGI script.	4514371.cif