Crystallography Open Database

Information card for entry 2009571

2009570 << 2009571 >> 2009572

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Coordinates	2009571.cif
Original IUCr paper	HTML

Structure parameters

Formula	C9 H19 N O7
Calculated formula	C9 H19 N O7
Title of publication	Structures of the choline ion in different crystal surroundings
Authors of publication	Frydenvang, K.; Hjelvang, G.; Jensen, B.; Martinho Do Rosario, S.M.
Journal of publication	Acta Crystallographica Section C
Year of publication	1994
Journal volume	50
Journal issue	4
Pages of publication	617 - 623
a	6.228 ± 0.001 Å
b	6.819 ± 0.001 Å
c	7.494 ± 0.001 Å
α	95.42 ± 0.02°
β	99.48 ± 0.01°
γ	108.99 ± 0.01°
Cell volume	293.07 ± 0.08 Å³
Cell temperature	122 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.074
Goodness-of-fit parameter for significantly intense reflections	1.797
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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