Crystallography Open Database

Information card for entry 7212668

Preview

Coordinates	7212668.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	25, 26. 27. 28-tetrahexadecoxycalix(4)arene
Formula	C92 H162 O9
Calculated formula	C92 H152 O9
Title of publication	Mapping out the diversity of interplay of O-alkylated calix[4]arenes
Authors of publication	Martin, Adam D.; Sobolev, Alexandre N.; Raston, Colin L.
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	10
Pages of publication	2666
a	16.7708 ± 0.0005 Å
b	18.7282 ± 0.0004 Å
c	29.5329 ± 0.0006 Å
α	90.194 ± 0.002°
β	97.457 ± 0.002°
γ	91.695 ± 0.002°
Cell volume	9193.2 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.3621
Residual factor for significantly intense reflections	0.1041
Weighted residual factors for significantly intense reflections	0.2066
Weighted residual factors for all reflections included in the refinement	0.2629
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180457 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/26.	7212668.cif
93202	2014-01-12	cif/ Adding structures of 7212666, 7212667, 7212668 via cif-deposit CGI script.	7212668.cif