Crystallography Open Database

Information card for entry 4113739

Preview

Coordinates	4113739.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H29 Cs O5
Calculated formula	C31 H26 Cs O5
Title of publication	Synthesis, Structures, and Conformational Characteristics of Calixarene Monoanions and Dianions
Authors of publication	Tracy A. Hanna; Lihua Liu; Alfredo M. Angeles-Boza; Xiaodi Kou; C. David Gutsche; Krzysztof Ejsmont; William H. Watson; Lev N. Zakharov; Christopher D. Incarvito; Arnold L. Rheingold
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	6228 - 6238
a	7.4016 ± 0.0007 Å
b	19.4783 ± 0.0017 Å
c	18.4508 ± 0.0016 Å
α	90°
β	97.882 ± 0.002°
γ	90°
Cell volume	2634.9 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0409
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.1171
Weighted residual factors for all reflections included in the refinement	0.1221
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178908 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/37.	4113739.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113739.cif
67011	2012-09-18	cif/ Adding structures of 4113739 via cif-deposit CGI script.	4113739.cif