Crystallography Open Database

Information card for entry 1557051

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Coordinates	1557051.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	L-leucyl-L-leucine ethanol solvate
Formula	C14 H30 N2 O4
Calculated formula	C14 H30 N2 O4
Title of publication	Solvent Site Preferences in the Crystal Structures of L-Leucyl-L-leucine Alcohol (1:1) Complexes
Authors of publication	Gorbitz, Carl Henrik
Journal of publication	Acta Chemica Scandinavica
Year of publication	1998
Journal volume	52
Pages of publication	1343 - 1352
a	8.6634 ± 0.0002 Å
b	24.0971 ± 0.0006 Å
c	9.3265 ± 0.0002 Å
α	90°
β	115.379 ± 0.0004°
γ	90°
Cell volume	1759.12 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1624
Residual factor for significantly intense reflections	0.0783
Weighted residual factors for all reflections	0.1447
Weighted residual factors for significantly intense reflections	0.1165
Goodness-of-fit parameter for all reflections	1.062
Goodness-of-fit parameter for significantly intense reflections	1.163
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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