Crystallography Open Database

Information card for entry 7059383

Preview

Coordinates	7059383.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H17 N19 O8
Calculated formula	C12 H17 N19 O8
Title of publication	Combining the furoxanylhydrazone framework with various energetic functionalities to prepare new insensitive energetic materials with 3D-cube layer stacking
Authors of publication	Tang, Jie; Yang, Hongwei; Xiong, Hualin; Hu, Wei; Lei, Caijin; Cheng, Guangbin
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	15
Pages of publication	5895 - 5902
a	9.7415 ± 0.0008 Å
b	10.0524 ± 0.0007 Å
c	12.6642 ± 0.001 Å
α	85.927 ± 0.002°
β	77.591 ± 0.002°
γ	69.175 ± 0.002°
Cell volume	1132.03 ± 0.15 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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 all reflections	0.0887
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1089
Weighted residual factors for all reflections included in the refinement	0.1226
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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