Crystallography Open Database

Information card for entry 7249684

Preview

Coordinates	7249684.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H34 N20 O14 S
Calculated formula	C16 H34 N20 O14 S
Title of publication	A novel bis-(triazolyl)-furoxan energetic compound—graphene-like crystal structure for balancing energy and sensitivity
Authors of publication	Wang, Jiapeng; Wang, Jianhua; Liu, Yucun; Yuan, Junming; Yu, Yanwu; Zhang, Yankang; Yan, Xuejian
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	3
Pages of publication	311 - 324
a	20.3798 ± 0.0006 Å
b	6.49 ± 0.0002 Å
c	25.5179 ± 0.0007 Å
α	90°
β	107.008 ± 0.002°
γ	90°
Cell volume	3227.51 ± 0.17 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	5
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	0.0476
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0988
Weighted residual factors for all reflections included in the refinement	0.1052
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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