Crystallography Open Database

Information card for entry 1557049

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Coordinates	1557049.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H32 N2 O4
Calculated formula	C15 H32 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	8.6404 ± 0.0002 Å
b	24.6286 ± 0.0005 Å
c	9.367 ± 0.0002 Å
α	90°
β	115.175 ± 0.001°
γ	90°
Cell volume	1803.97 ± 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	0.0842
Residual factor for significantly intense reflections	0.0715
Weighted residual factors for all reflections	0.1591
Weighted residual factors for significantly intense reflections	0.1512
Goodness-of-fit parameter for all reflections	1.176
Goodness-of-fit parameter for significantly intense reflections	1.198
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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