Crystallography Open Database

Information card for entry 2311606

Preview

Coordinates	2311606.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>N^2^</i>,<i>N^2'^</i>-bis[2-(morpholin-4-yl)propyl]- <i>N^1^</i>,<i>N</i>^1'^-(1,2-phenylene)dioxalamide dimethyl sulfoxide monosolvate
Formula	C26 H42 N6 O7 S
Calculated formula	C26 H42 N6 O7 S
Title of publication	Helical supramolecular assembly of N2,N2')bis[3-(morpholin-4-yl)propyl]-N1,N1'-(1,2-phenylene)dioxalamide dimethyl sulfoxide monosolvate.
Authors of publication	González-González, Juan Saulo; Padilla-Martínez, Itzia I; García-Báez, Efrén V; Franco-Hernández, Olivia; Martínez-Martínez, Francisco J
Journal of publication	Acta crystallographica. Section C, Crystal structure communications
Year of publication	2013
Journal volume	69
Journal issue	Pt 1
Pages of publication	66 - 69
a	8.6704 ± 0.0008 Å
b	11.0052 ± 0.001 Å
c	16.3277 ± 0.0015 Å
α	107.425 ± 0.002°
β	98.036 ± 0.002°
γ	91.517 ± 0.002°
Cell volume	1468 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0452
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0945
Weighted residual factors for all reflections included in the refinement	0.0989
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
246020 (current)	2019-12-26	cif/ Adding structures of 2311606 via cif-deposit CGI script.	2311606.cif