Crystallography Open Database

Information card for entry 1556916

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Coordinates	1556916.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H20 N4 O8
Calculated formula	C19 N4 O8
Title of publication	Photochemical Nitration by Tetranitromethane. Part XLIV. Some Reactions of 2-Phenylpropene and 2,4,6-Trimethylstyrene with Tetranitromethane: Competition between the Radical Chain Addition Reaction and Isoxazolidine Formation: Nitrogen Inversion in Some Isoxazolidines.
Authors of publication	Berg, Ulf; Butts, Craig P.; Eberson, Lennart; Hartshorn, Michael P.; Persson, Ola
Journal of publication	Acta Chemica Scandinavica
Year of publication	1998
Journal volume	52
Pages of publication	761 - 769
a	9.6356 ± 0.0012 Å
b	9.7619 ± 0.0014 Å
c	23.71 ± 0.005 Å
α	87.91 ± 0.02°
β	82.49 ± 0.02°
γ	64.631 ± 0.009°
Cell volume	1997.4 ± 0.6 Å³
Ambient diffraction temperature	173 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 significantly intense reflections	0.0527
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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