Crystallography Open Database

Information card for entry 1516988

Preview

Coordinates	1516988.cif

Structure parameters

Formula	C17 H16 O6
Calculated formula	C17 H16 O6
Title of publication	Calixarene and hemicarcerand-like compounds obtained by self-assembly of 3-aminophenylboronic acid and salicylaldehyde derivatives
Authors of publication	Victor Barba; Paola Ramos; Danae Jimenez; Abraham Rivera; Ariel Meneses
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	401
Pages of publication	30 - 37
a	6.787 ± 0.003 Å
b	23.691 ± 0.01 Å
c	4.5084 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	724.9 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0455
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.0804
Weighted residual factors for all reflections included in the refinement	0.0866
Goodness-of-fit parameter for all reflections included in the refinement	1.154
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.	1516988.cif
119856	2014-07-09	cif/ Adding structures of 1516988 via cif-deposit CGI script.	1516988.cif