Crystallography Open Database

Information card for entry 7707319

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Coordinates	7707319.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H6 N6 O8
Calculated formula	C4 H6 N6 O8
Title of publication	Synthesis and properties of azamonocyclic energetic materials with geminal explosophores.
Authors of publication	Yang, Kaidi; Bi, Fuqiang; Xue, Qi; Huo, Huan; Bai, Chao; Zhang, Junlin; Wang, Bozhou
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	24
Pages of publication	8338 - 8348
a	11.0204 ± 0.0004 Å
b	15.539 ± 0.0005 Å
c	33.3517 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	5711.3 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0628
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1503
Weighted residual factors for all reflections included in the refinement	0.1553
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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