Crystallography Open Database

Information card for entry 4504838

Preview

Coordinates	4504838.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H60 N2 O5
Calculated formula	C35 H60 N2 O5
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	8.9399 ± 0.0007 Å
b	19.3683 ± 0.0015 Å
c	20.2739 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	3510.4 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.097
Weighted residual factors for all reflections included in the refinement	0.0991
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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.	4504838.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504838.cif
49989	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4504838 via cif-deposit CGI script.	4504838.cif