Crystallography Open Database

Information card for entry 4504834

Preview

Coordinates	4504834.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H32 N O3.5
Calculated formula	C18 H27 N O2
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	9.557 ± 0.002 Å
b	9.922 ± 0.003 Å
c	10.7 ± 0.003 Å
α	113.32 ± 0.02°
β	97.01 ± 0.02°
γ	89.95 ± 0.02°
Cell volume	923.5 ± 0.5 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	0.1157
Residual factor for significantly intense reflections	0.0864
Weighted residual factors for significantly intense reflections	0.2722
Weighted residual factors for all reflections included in the refinement	0.2997
Goodness-of-fit parameter for all reflections included in the refinement	1.156
Diffraction radiation wavelength	0.7093 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4504834.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504834.cif
49985	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4504834 via cif-deposit CGI script.	4504834.cif