Crystallography Open Database

Information card for entry 2200347

2200346 << 2200347 >> 2200348

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Structure parameters

Common name	Tri(L-Isoleucinium) sulfate bisulfate
Chemical name	Tri(L-Isoleucinium) sulfate bisulfate
Formula	C18 H43 N3 O14 S2
Calculated formula	C18 H43 N3 O14 S2
SMILES	S(=O)(=O)(O)[O-].S(=O)(=O)([O-])[O-].OC(=O)[C@@H]([NH3+])[C@@H](C)CC.OC(=O)[C@@H]([NH3+])[C@@H](C)CC.OC(=O)[C@@H]([NH3+])[C@@H](C)CC
Title of publication	Tri(<small>L</small>-isoleucinium) sulfate bisulfate
Authors of publication	B. Sridhar; N. Srinivasan; R. K. Rajaram
Journal of publication	Acta Crystallographica Section E
Year of publication	2001
Journal volume	57
Journal issue	6
Pages of publication	o558 - o560
a	6.743 ± 0.005 Å
b	19.418 ± 0.005 Å
c	22.095 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2893 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.145
Residual factor for significantly intense reflections	0.047
Weighted residual factors for all reflections included in the refinement	0.125
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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