Crystallography Open Database

Information card for entry 1514737

Preview

Coordinates	1514737.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 F3 N3 O3
Calculated formula	C20 H18 F3 N3 O3
SMILES	C1(=O)c2cccc3c(ccc(C(=O)N1CCCC)c23)c1cc(C(F)(F)F)n[nH]1.O
Title of publication	Naphthalimide trifluoroacetyl acetonate: a hydrazine-selective chemodosimetric sensor
Authors of publication	Lee, Min Hee; Yoon, Byungkwon; Kim, Jong Seung; Sessler, Jonathan L.
Journal of publication	Chemical Science
Year of publication	2013
Journal volume	4
Journal issue	11
Pages of publication	4121
a	27.371 ± 0.002 Å
b	7.0453 ± 0.0006 Å
c	18.8951 ± 0.0014 Å
α	90°
β	99.01 ± 0.007°
γ	90°
Cell volume	3598.7 ± 0.5 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
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	0.1192
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.0595
Weighted residual factors for all reflections included in the refinement	0.067
Goodness-of-fit parameter for all reflections included in the refinement	0.967
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514737.cif
110239	2014-04-18	cif/ Adding structures of 1514737 via cif-deposit CGI script.	1514737.cif