Crystallography Open Database

Information card for entry 2002991

2002990 << 2002991 >> 2002992

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Structure parameters

Chemical name	L-leucyl-L-valine methanol (1:1)
Formula	C12 H26 N2 O4
Calculated formula	C12 H26 N2 O4
Title of publication	Symmetry, pseudosymmetry and packing disorder in the alcohol solvates of <small>L</small>-leucyl-<small>L</small>-valine
Authors of publication	Görbitz, Carl Henrik; Torgersen, Eirin
Journal of publication	Acta Crystallographica, Section B: Structural Science
Year of publication	1999
Journal volume	55
Journal issue	1
Pages of publication	104 - 113
a	5.289 ± 0.0001 Å
b	12.6877 ± 0.0001 Å
c	11.4872 ± 0.0001 Å
α	90°
β	95.8136 ± 0.0005°
γ	90°
Cell volume	766.887 ± 0.017 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	0.1003
Residual factor for significantly intense reflections	0.0656
Weighted residual factors for all reflections	0.179
Weighted residual factors for significantly intense reflections	0.1584
Goodness-of-fit parameter for all reflections	0.985
Goodness-of-fit parameter for significantly intense reflections	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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