Crystallography Open Database

Information card for entry 7250605

Preview

Coordinates	7250605.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 N16 O10
Calculated formula	C18 H22 N16 O10
Title of publication	Constructing insensitive heat-resistant energetic materials via hydrazo bridge mediated resonance-assisted hydrogen bonds
Authors of publication	Zhang, Xing; Pan, Linhu; Li, Min; Jing, Jianquan; Xia, Honglei; Zhang, Qinghua
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	29
Pages of publication	5021 - 5029
a	4.5534 ± 0.0005 Å
b	11.8134 ± 0.001 Å
c	12.2013 ± 0.0009 Å
α	81.384 ± 0.007°
β	88.616 ± 0.007°
γ	81.965 ± 0.008°
Cell volume	642.54 ± 0.1 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.1354
Residual factor for significantly intense reflections	0.074
Weighted residual factors for significantly intense reflections	0.153
Weighted residual factors for all reflections included in the refinement	0.1774
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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