Crystallography Open Database

Information card for entry 4113738

Preview

Coordinates	4113738.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H31 O5 Rb
Calculated formula	C32 H31 O5 Rb
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	18.1392 ± 0.0007 Å
b	18.9515 ± 0.0007 Å
c	7.4377 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2556.82 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0378
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0676
Weighted residual factors for all reflections included in the refinement	0.0691
Goodness-of-fit parameter for all reflections included in the refinement	0.96
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.	4113738.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113738.cif
67010	2012-09-18	cif/ Adding structures of 4113738 via cif-deposit CGI script.	4113738.cif