Crystallography Open Database

Information card for entry 1542474

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Structure parameters

Chemical name	Bis(morpholine-4-carboxamidinium) sulfate
Formula	C10 H24 N6 O6 S
Calculated formula	C10 H24 N6 O6 S
SMILES	S(=O)(=O)([O-])[O-].O1CC[N+](=C(N)N)CC1.O1CC[N+](=C(N)N)CC1
Title of publication	Morpholine-4-carboxamidinium sulfate
Authors of publication	Tiritiris, Ioannis; Kantlehner, Willi
Journal of publication	IUCrData
Year of publication	2016
Journal volume	1
Journal issue	1
Pages of publication	x160069
a	9.7194 ± 0.0003 Å
b	9.4737 ± 0.0003 Å
c	17.9416 ± 0.0008 Å
α	90°
β	105.386 ± 0.001°
γ	90°
Cell volume	1592.83 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0383
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.086
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181861 (current)	2016-04-06	hkl/ (antanas@echidna.ibt.lt) Adding IUCr specific svn headers to multiple entries in range 1.	1542474.cif 1542474.hkl
177522	2016-03-04	cif/ Updating files of 1542474 Original log message: Adding full bibliography for 1542474.cif.	1542474.cif 1542474.hkl
176753	2016-02-19	cif/1/54/ Fixing paper titles for structures from IUCrData journal.	1542474.cif 1542474.hkl
176530	2016-02-17	cif/ hkl/ Adding structures of 1542474 via cif-deposit CGI script.	1542474.cif 1542474.hkl