Crystallography Open Database

Information card for entry 2200733

2200732 << 2200733 >> 2200734

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Structure parameters

Formula	C5 H6 N4 O7
Calculated formula	C5 H6 N4 O7
Title of publication	2,5-Dinitro-7,9-dioxa-2,5-diazabicyclo[4.3.0]nonan-8-one
Authors of publication	Gilardi, Richard D.; Butcher, Ray J.
Journal of publication	Acta Crystallographica Section E
Year of publication	2001
Journal volume	57
Journal issue	10
Pages of publication	o913 - o915
a	14.609 ± 0.002 Å
b	8.4266 ± 0.0012 Å
c	6.9097 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	850.61 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0672
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for all reflections included in the refinement	0.1111
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

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