Crystallography Open Database

Information card for entry 7153257

Preview

Coordinates	7153257.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H84.14 Cl N29 O24.07
Calculated formula	C54 H64 Cl N29 O24.065
Title of publication	Solid state stabilisation of the orally delivered drugs atenolol, glibenclamide, memantine and paracetamol through their complexation with cucurbit[7]uril.
Authors of publication	McInnes, Fiona J.; Anthony, Nahoum G.; Kennedy, Alan R.; Wheate, Nial J.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2010
Journal volume	8
Journal issue	4
Pages of publication	765 - 773
a	21.273 ± 0.01 Å
b	17.264 ± 0.009 Å
c	38.427 ± 0.019 Å
α	90°
β	101.735 ± 0.007°
γ	90°
Cell volume	13818 ± 12 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1242
Residual factor for significantly intense reflections	0.0793
Weighted residual factors for significantly intense reflections	0.2141
Weighted residual factors for all reflections included in the refinement	0.2513
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180318 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/32.	7153257.cif
92561	2014-01-12	cif/ Adding structures of 7153257 via cif-deposit CGI script.	7153257.cif