Crystallography Open Database

Information card for entry 2010657

2010656 << 2010657 >> 2010658

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Structure parameters

Chemical name	L-Methionyl-L-alanine 2-propanol solvate
Formula	C14 H32 N2 O5 S
Calculated formula	C14 H32 N2 O5 S
Title of publication	<small>L</small>-Methionyl-<small>L</small>-alanine‒2-propanol (1/2)
Authors of publication	Görbitz, Carl Henrik
Journal of publication	Acta Crystallographica Section C
Year of publication	2000
Journal volume	56
Journal issue	2
Pages of publication	e64 - e65
a	9.9277 ± 0.0002 Å
b	16.4556 ± 0.0003 Å
c	12.4895 ± 0.0002 Å
α	90°
β	97.594 ± 0.001°
γ	90°
Cell volume	2022.47 ± 0.06 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.117
Residual factor for significantly intense reflections	0.078
Weighted residual factors for all reflections included in the refinement	0.202
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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