Crystallography Open Database

Information card for entry 7214238

Preview

Coordinates	7214238.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H18 N2 O2 S2
Calculated formula	C23 H18 N2 O2 S2
SMILES	s1c(nc2ccccc12)c1c(O)c(cc(OCCC)c1)c1sc2c(n1)cccc2
Title of publication	Highly efficient solid-state red fluorophores using ESIPT: crystal packing and fluorescence properties of alkoxy-substituted dibenzothiazolylphenols
Authors of publication	Sakai, Ken-ichi; Kawamura, Hiroshi; Kobayashi, Noriyuki; Ishikawa, Takaaki; Ikeda, Chiori; Kikuchi, Takemitsu; Akutagawa, Tomoyuki
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	15
Pages of publication	3180
a	11.7301 ± 0.0002 Å
b	22.2883 ± 0.0004 Å
c	7.47946 ± 0.0001 Å
α	90°
β	100.438°
γ	90°
Cell volume	1923.1 ± 0.05 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0731
Weighted residual factors for all reflections included in the refinement	0.1563
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180473 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/42.	7214238.cif
108270	2014-03-30	cif/ Adding structures of 7214237, 7214238 via cif-deposit CGI script.	7214238.cif