Crystallography Open Database

Information card for entry 7111551

Preview

Coordinates	7111551.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H72 O8
Calculated formula	C70 H72 O8
Title of publication	Triptycene-derived calix[6]arenes: synthesis, structure and tubular assemblies in the solid state
Authors of publication	Tian, Xiao-Hong; Hao, Xiang; Liang, Tong-Ling; Chen, Chuan-Feng
Journal of publication	Chemical Communications
Year of publication	2009
Journal issue	44
Pages of publication	6771 - 6773
a	14.954 ± 0.003 Å
b	13.561 ± 0.003 Å
c	29.634 ± 0.006 Å
α	90°
β	104.15 ± 0.03°
γ	90°
Cell volume	5827 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0834
Residual factor for significantly intense reflections	0.0769
Weighted residual factors for significantly intense reflections	0.1575
Weighted residual factors for all reflections included in the refinement	0.1607
Goodness-of-fit parameter for all reflections included in the refinement	1.273
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
180229 (current)	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 7/11/15.	7111551.cif
96658	2014-01-29	cif/ Adding structures of 7111551, 7111552 via cif-deposit CGI script.	7111551.cif