Crystallography Open Database

Information card for entry 4508765

Preview

Coordinates	4508765.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H29 N3 O4.5
Calculated formula	C14 H29 N3 O4.5
Title of publication	Linking Hydrogen Dicarboxylate Synthons with Substituted Guanidinium Cations: Transforming Rings and Chains into Two- and Three-Dimensional Structures
Authors of publication	Said, Farouq F.; Ong, Tiow-Gan; Bazinet, Patrick; Yap, Glenn P. A.; Richeson, Darrin S.
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	8
Pages of publication	1848
a	9.83 ± 0.0018 Å
b	9.83 ± 0.0018 Å
c	37.502 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	3623.8 ± 1.2 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 2 K
Number of distinct elements	4
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0837
Residual factor for significantly intense reflections	0.0768
Weighted residual factors for significantly intense reflections	0.2237
Weighted residual factors for all reflections included in the refinement	0.2326
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4508765.cif
96913	2014-01-29	cif/ Adding structures of 4508765 via cif-deposit CGI script.	4508765.cif