Crystallography Open Database

Information card for entry 7113179

Preview

Coordinates	7113179.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Tetramethyltetraphenyltetraallyloxy) Calix(4) Resorcinarene
Formula	C80 H80 O8
Calculated formula	C80 H80 O8
Title of publication	Synthesis of resorcin[4]arene cavitands by ring-closing metathesis
Authors of publication	Parulekar, Sumedh N.; Muppalla, Kirankirti; Fronczek, Frank R.; Bisht, Kirpal S.
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2007
Journal issue	46
Pages of publication	4901 - 4903
a	12.36 ± 0.002 Å
b	13.691 ± 0.003 Å
c	19.796 ± 0.004 Å
α	103.132 ± 0.012°
β	92.301 ± 0.011°
γ	101.094 ± 0.011°
Cell volume	3189 ± 1.1 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.111
Residual factor for significantly intense reflections	0.071
Weighted residual factors for significantly intense reflections	0.152
Weighted residual factors for all reflections included in the refinement	0.171
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7102320
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
209779 (current)	2018-08-16	cif/7/ Updating bibliography in entries 7102320-7102322, 7113179-7113181. Marking entries 7113179-7113181 as duplicates of entries 7102320-7102322.	7113179.cif
180245	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/31.	7113179.cif
113369	2014-05-12	cif/ Adding structures of 7113179, 7113180, 7113181 via cif-deposit CGI script.	7113179.cif