Crystallography Open Database

Information card for entry 1504165

Preview

Coordinates	1504165.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 N2 O2
Calculated formula	C24 N2 O2
SMILES	c1(c(cc2c3c1ccc1cccc(cc2)c31)/C=N/N=C(O)/c1ccccc1)O
Title of publication	Cu2±selective ratiometric and "off-on" sensor based on the rhodamine derivative bearing pyrene group.
Authors of publication	Zhou, Ying; Wang, Fang; Kim, Youngmee; Kim, Sung-Jin; Yoon, Juyoung
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	19
Pages of publication	4442 - 4445
a	9.668 ± 0.0019 Å
b	9.511 ± 0.0019 Å
c	19.728 ± 0.004 Å
α	90°
β	90.66 ± 0.03°
γ	90°
Cell volume	1813.9 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2434
Residual factor for significantly intense reflections	0.1477
Weighted residual factors for significantly intense reflections	0.3701
Weighted residual factors for all reflections included in the refinement	0.4226
Goodness-of-fit parameter for all reflections included in the refinement	1.171
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.	1504165.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504165.cif
39426	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1504165 via cif-deposit CGI script.	1504165.cif