Crystallography Open Database

Information card for entry 4504794

Preview

Coordinates	4504794.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H39 N O2
Calculated formula	C20 H39 N O2
Title of publication	Supramolecular Hydrogen Bond Isomerism in Organic Salts: A Transition from 0D to 1D
Authors of publication	Trivedi, Darshak R.; Dastidar, Parthasarathi
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	4
Pages of publication	1022
a	18.61 Å
b	8.949 Å
c	25.27 Å
α	90°
β	90°
γ	90°
Cell volume	4208.49 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1477
Residual factor for significantly intense reflections	0.1018
Weighted residual factors for significantly intense reflections	0.2644
Weighted residual factors for all reflections included in the refinement	0.2973
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
179582 (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 4/50/47.	4504794.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504794.cif
47538	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504794 via cif-deposit CGI script.	4504794.cif