Crystallography Open Database

Information card for entry 7707318

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Coordinates	7707318.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H6 N8 O6
Calculated formula	C4 H6 N8 O6
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	13.3083 ± 0.001 Å
b	6.3183 ± 0.0004 Å
c	12.2565 ± 0.0008 Å
α	90°
β	109.22 ± 0.004°
γ	90°
Cell volume	973.15 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0345
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.056
Weighted residual factors for all reflections included in the refinement	0.06
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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