Crystallography Open Database

Information card for entry 4104436

Preview

Coordinates	4104436.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H82 I N O16 P4
Calculated formula	C64 H64 I N O13 P4
Title of publication	Molecular Recognition on a Cavitand-Functionalized Silicon Surface
Authors of publication	Elisa Biavardi; Maria Favazza; Alessandro Motta; Ignazio L. Fragalà; Chiara Massera; Luca Prodi; Marco Montalti; Monica Melegari; Guglielmo G. Condorelli; Enrico Dalcanale
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	7447 - 7455
a	15.313 ± 0.003 Å
b	16.539 ± 0.004 Å
c	16.677 ± 0.004 Å
α	67.754 ± 0.004°
β	68.076 ± 0.004°
γ	85.881 ± 0.004°
Cell volume	3614.6 ± 1.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1207
Residual factor for significantly intense reflections	0.0751
Weighted residual factors for significantly intense reflections	0.1825
Weighted residual factors for all reflections included in the refinement	0.1958
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178790 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/44.	4104436.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104436.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104436.cif
29460	2011-11-03	../uploads/cif-deposit/cod/cif Adding structures of 4104436 via cif-deposit CGI script.	4104436.cif