Crystallography Open Database

Information card for entry 2101397

Preview

Coordinates	2101397.cif
Original IUCr paper	HTML

Structure parameters

Formula	C4 H6 N4 O8
Calculated formula	C4 H6 N4 O8
Title of publication	Structure of 2,2,3,3-tetranitrobutane
Authors of publication	Koh, L. L.; Sim, K. Y.; Huang, H. H.; Lam, Y. L.; Liang, E. P.
Journal of publication	Acta Crystallographica Section B
Year of publication	1995
Journal volume	51
Journal issue	6
Pages of publication	1097 - 1102
a	6.152 ± 0.003 Å
b	7.216 ± 0.002 Å
c	11.622 ± 0.004 Å
α	76.17 ± 0.03°
β	76.93 ± 0.06°
γ	69.27 ± 0.05°
Cell volume	462.8 ± 0.3 Å³
Cell temperature	297 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	0.05
Weighted residual factors for significantly intense reflections	0.05
Goodness-of-fit parameter for significantly intense reflections	2.9
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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