Crystallography Open Database

Information card for entry 7209088

7209087 << 7209088 >> 7209089

Preview

Coordinates	7209088.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	DiOPrTetraAcidPy
Formula	C58 H58 N4 O13
Calculated formula	C58 H56 N4 O13
Title of publication	Eliminating disorder in a self-assembled calixarene nanotube
Authors of publication	Kennedy, Stuart; Cholewa, Piotr; McIntosh, Ruaraidh D.; Dalgarno, Scott J.
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	8
Pages of publication	1520
a	46.332 ± 0.002 Å
b	46.332 ± 0.002 Å
c	12.6066 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	23436.4 ± 1.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1418
Residual factor for significantly intense reflections	0.0977
Weighted residual factors for significantly intense reflections	0.2749
Weighted residual factors for all reflections included in the refinement	0.2901
Goodness-of-fit parameter for all reflections included in the refinement	1.739
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180421 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/90.	7209088.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7209088.cif
73580	2013-02-20	cif/ Adding structures of 7209088 via cif-deposit CGI script.	7209088.cif