Crystallography Open Database

Information card for entry 1504636

Preview

Coordinates	1504636.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	none
Chemical name	OUR CODE NAME = 2c
Formula	C28 H12 Cl4 O8
Calculated formula	C28 H12 Cl4 O8
SMILES	Clc1ccc2OC(=O)c3c(OC(=O)c4c(OC(=O)c5c(OC(=O)c2c1)ccc(Cl)c5)ccc(Cl)c4)ccc(Cl)c3
Title of publication	Inclusion and gelation properties of novel tetra- and hexasalicylide derivatives.
Authors of publication	Tanaka, Koichi; Hayashi, Satoshi; Caira, Mino R.
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	11
Pages of publication	2119 - 2122
a	13.2927 ± 0.0003 Å
b	13.2927 ± 0.0003 Å
c	7.3547 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1299.55 ± 0.05 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	4
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.0471
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0831
Weighted residual factors for all reflections included in the refinement	0.0888
Goodness-of-fit parameter for all reflections included in the refinement	1.098
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.	1504636.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504636.cif
42241	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504636 via cif-deposit CGI script.	1504636.cif