Crystallography Open Database

Information card for entry 2102121

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Coordinates	2102121.cif
Original IUCr paper	HTML

Structure parameters

Formula	C6 H13 N O2
Calculated formula	C6 H13 N O2
Title of publication	Structural relationships in crystals accommodating different stereoisomers of 2-amino-3-methylpentanoic acid
Authors of publication	Dalhus, Bjørn; Görbitz, Carl Henrik
Journal of publication	Acta Crystallographica Section B
Year of publication	2000
Journal volume	56
Journal issue	4
Pages of publication	720 - 727
a	5.2493 ± 0.0001 Å
b	5.4006 ± 0.0001 Å
c	13.2778 ± 0.0002 Å
α	92.9433 ± 0.0006°
β	92.8659 ± 0.0005°
γ	109.857 ± 0.0007°
Cell volume	352.657 ± 0.011 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0656
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for all reflections	0.194
Weighted residual factors for significantly intense reflections	0.1915
Goodness-of-fit parameter for all reflections	1.248
Goodness-of-fit parameter for significantly intense reflections	1.303
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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