Crystallography Open Database

Information card for entry 7015457

Preview

Coordinates	7015457.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H44 N6 O4
Calculated formula	C46 H44 N6 O4
SMILES	C(c1nccc2cc(ccc12)OC)N(Cc1nccc2cc(OC)ccc12)CCN(Cc1nccc2cc(ccc12)OC)Cc1nccc2cc(OC)ccc12
Title of publication	Methoxy-substituted isoTQEN family for enhanced fluorescence response toward zinc ion.
Authors of publication	Mikata, Yuji; Yamashita, Azusa; Kawata, Keiko; Konno, Hideo; Itami, Saori; Yasuda, Keiko; Tamotsu, Satoshi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	16
Pages of publication	4059 - 4066
a	12.119 ± 0.0006 Å
b	17.016 ± 0.0009 Å
c	18.434 ± 0.0009 Å
α	90°
β	95.437 ± 0.002°
γ	90°
Cell volume	3784.3 ± 0.3 Å³
Cell temperature	173.1 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for all reflections included in the refinement	0.1112
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7015457.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015457.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015457.cif
21156	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7015457, 7015458, 7015459 via cif-deposit CGI script.	7015457.cif