Crystallography Open Database

Information card for entry 2009572

2009571 << 2009572 >> 2009573

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Coordinates	2009572.cif
Original IUCr paper	HTML

Structure parameters

Formula	C16 H26 N2 O4
Calculated formula	C16 H26 N2 O4
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	21.438 ± 0.003 Å
b	8.161 ± 0.001 Å
c	21.655 ± 0.006 Å
α	90°
β	109.98 ± 0.02°
γ	90°
Cell volume	3560.6 ± 1.3 Å³
Cell temperature	295 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.061
Goodness-of-fit parameter for significantly intense reflections	1.331
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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