Crystallography Open Database

Information card for entry 2008326

2008325 << 2008326 >> 2008327

Preview

Coordinates	2008326.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	2-Aminopyridinium Di(methanesulfonyl)amidate 1,4,7,1O,13,16-Hexaoxacyclooctadecane (1/1/1)
Formula	C19 H37 N3 O10 S2
Calculated formula	C19 H37 N3 O10 S2
SMILES	[N-](S(=O)(=O)C)S(=O)(=O)C.[nH+]1c(N)cccc1.C1COCCOCCOCCOCCOCCO1
Title of publication	Polysulfonylamines. CX. Hydroxylammonium di(methanesulfonyl)amidate 1,4,7,10,13,16-hexaoxacyclooctadecane (1/1/1) and 2-aminopyridinium di(methanesulfonyl)amidate 1,4,7,10,13,16-hexaoxacyclooctadecane (1/1/1)
Authors of publication	Henschel, Dagmar; Wijaya, Karna; Jones, Peter G.; Blaschette, Armand
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	4
Pages of publication	664 - 668
a	11.67 ± 0.003 Å
b	15.623 ± 0.005 Å
c	14.528 ± 0.004 Å
α	90°
β	108.74 ± 0.03°
γ	90°
Cell volume	2508.3 ± 1.3 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.038
Weighted residual factors for all reflections included in the refinement	0.094
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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