Crystallography Open Database

Information card for entry 2017715

2017714 << 2017715 >> 2017716

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Structure parameters

Chemical name	L-Isoleucyl-L-asparagine
Formula	C10 H21.188 N3 O5.094
Calculated formula	C10 H21.188 N3 O5.094
Title of publication	<small>L</small>-Isoleucyl-<small>L</small>-asparagine 1.094-hydrate: a hybrid hydrogen-bonding pattern
Authors of publication	Görbitz, Carl Henrik; Backe, Paul Hoff
Journal of publication	Acta Crystallographica Section C
Year of publication	2010
Journal volume	66
Journal issue	7
Pages of publication	o349 - o352
a	4.7855 ± 0.0004 Å
b	18.2887 ± 0.0015 Å
c	31.247 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2734.8 ± 0.4 Å³
Cell temperature	105 ± 2 K
Ambient diffraction temperature	105 ± 2 K
Number of distinct elements	4
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	0.0725
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.0928
Weighted residual factors for all reflections included in the refinement	0.1043
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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