Crystallography Open Database

Information card for entry 1502191

Preview

Coordinates	1502191.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H42 N4 O4.5
Calculated formula	C60 H42 N4 O4.5
Title of publication	A novel supermolecular tetrameric vanadate-selective colorimetric and "off-on" sensor with pyrene ligand.
Authors of publication	Zhou, Ying; Jung, Ji Young; Jeon, Hye Ryeong; Kim, Youngmee; Kim, Sung-Jin; Yoon, Juyoung
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	10
Pages of publication	2742 - 2745
a	15.6 ± 0.002 Å
b	15.6 ± 0.002 Å
c	33.184 ± 0.007 Å
α	90°
β	90°
γ	120°
Cell volume	6993.7 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.202
Residual factor for significantly intense reflections	0.1018
Weighted residual factors for significantly intense reflections	0.3049
Weighted residual factors for all reflections included in the refinement	0.3796
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1502191.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502191.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1502191.cif
35500	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1502191 via cif-deposit CGI script.	1502191.cif