Crystallography Open Database

Information card for entry 4504075

Preview

Coordinates	4504075.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H30 O13 S
Calculated formula	C10 H30 O13 S
Title of publication	Solution and Solid-State Preparation of 18-Crown-6 and 15-Crown-5 Adducts of Hydrogen Sulfate Salts and an Investigation of the Reversible Dehydration Processes
Authors of publication	Braga, Dario; Gandolfi, Massimo; Lusi, Matteo; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia
Journal of publication	Crystal Growth & Design
Year of publication	2007
Journal volume	7
Journal issue	5
Pages of publication	919
a	7.6336 ± 0.0004 Å
b	10.5457 ± 0.0005 Å
c	12.9774 ± 0.0006 Å
α	103.899 ± 0.001°
β	105.679 ± 0.001°
γ	96.469 ± 0.001°
Cell volume	958.59 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0966
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for significantly intense reflections	0.1701
Weighted residual factors for all reflections included in the refinement	0.2019
Goodness-of-fit parameter for all reflections included in the refinement	0.979
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
179575 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/40.	4504075.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504075.cif
44908	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4504075 via cif-deposit CGI script.	4504075.cif