Crystallography Open Database

Information card for entry 4114784

Preview

Coordinates	4114784.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H40 O10
Calculated formula	C34 H40 O10
Title of publication	Chromophore Formation in Resorcinarene Solutions and the Visual Detection of Mono- and Oligosaccharides
Authors of publication	Ming He; Rolanda J. Johnson; Jorge O. Escobedo; Patricia A. Beck; Kyu Kwang Kim; Nadia N. St. Luce; Claude J. Davis; Patrick T. Lewis; Frank R. Fronczek; Bruce J. Melancon; Anthony A. Mrse; W. Dale Treleaven; Robert M. Strongin
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	5000 - 5009
a	14.0627 ± 0.0004 Å
b	13.694 ± 0.0004 Å
c	16.0505 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3090.92 ± 0.16 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	3
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.09
Residual factor for significantly intense reflections	0.064
Weighted residual factors for significantly intense reflections	0.145
Weighted residual factors for all reflections included in the refinement	0.165
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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
178918 (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 4/11/47.	4114784.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114784.cif
68147	2012-10-19	cif/ Adding structures of 4114784 via cif-deposit CGI script.	4114784.cif