Crystallography Open Database

Information card for entry 4504837

Preview

Coordinates	4504837.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H52 N2 O4
Calculated formula	C32 H52 N2 O4
Title of publication	Ascertaining the 1D Hydrogen-Bonded Network in Organic Ionic Solids
Authors of publication	Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi
Journal of publication	Crystal Growth & Design
Year of publication	2005
Journal volume	5
Journal issue	4
Pages of publication	1545
a	10.4672 ± 0.0017 Å
b	11.4926 ± 0.0019 Å
c	13.068 ± 0.002 Å
α	75.368 ± 0.003°
β	75.277 ± 0.003°
γ	84.51 ± 0.003°
Cell volume	1470.3 ± 0.4 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	0.0533
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.1392
Weighted residual factors for all reflections included in the refinement	0.142
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
179583 (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 4/50/48.	4504837.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504837.cif
49988	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4504837 via cif-deposit CGI script.	4504837.cif