Crystallography Open Database

Information card for entry 2108767

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Structure parameters

Formula	C14 H6 N6 O12
Calculated formula	C14 H6 N6 O12
Title of publication	The crystal structure and thermal decomposition kinetics of <i>cis</i>-hexanitrostilbene
Authors of publication	Liu, Yunzhang; Chen, Lizhen; Wang, Jianlong; Chen, Jun; Wang, Jingqi; Pan, Hongxia
Journal of publication	Acta Crystallographica Section B
Year of publication	2021
Journal volume	77
Journal issue	1
a	21.221 ± 0.0006 Å
b	10.308 ± 0.0003 Å
c	19.4134 ± 0.0005 Å
α	90°
β	129.087 ± 0.001°
γ	90°
Cell volume	3296.17 ± 0.17 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0567
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.1043
Weighted residual factors for all reflections included in the refinement	0.1154
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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