Crystallography Open Database

Information card for entry 7054166

Preview

Coordinates	7054166.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	awc8040_KS
Formula	C64 H56 Br8 O9
Calculated formula	C64 H56 Br8 O9
Title of publication	Synthesis, solid state structures and interfacial properties of new para-phosphonato-O-alkoxy-calix[8]arene derivatives
Authors of publication	Perret, Florent; Suwinska, Kinga; Bertino Ghera, Bernard; Parrot-Lopez, Hélène; Coleman, Anthony W.
Journal of publication	New Journal of Chemistry
Year of publication	2007
Journal volume	31
Journal issue	6
Pages of publication	893 - 900
a	8.7192 ± 0.0007 Å
b	26.3 ± 0.001 Å
c	15.251 ± 0.002 Å
α	90 ± 0.005°
β	91.521 ± 0.006°
γ	90 ± 0.004°
Cell volume	3496.1 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.147
Residual factor for significantly intense reflections	0.085
Weighted residual factors for significantly intense reflections	0.237
Weighted residual factors for all reflections included in the refinement	0.2693
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
180095 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/41.	7054166.cif
132200	2015-02-21	cif/7/05/ (antanas@koala.ibt.lt) Updating bibliography for CIFs 7054166, 7054167.	7054166.cif
113441	2014-05-12	cif/ Adding structures of 7054166, 7054167 via cif-deposit CGI script.	7054166.cif